Standard Article

Hydrazoic Acid

  1. Gary W. Breton1,
  2. Paul J. Kropp1,
  3. Klaus Banert2

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rh029.pub2

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Breton, G. W., Kropp, P. J. and Banert, K. 2013. Hydrazoic Acid. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. 1

    University of North Carolina, Chapel Hill, NC, USA

  2. 2

    Chemnitz University of Technolog, Chemnitz, Germany

Publication History

  1. Published Online: 16 SEP 2013

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  1. 1 - 143
Compound Information
Drug synonym:Not Available
Molecular Weight:144.213
Molecular Formula:C11H12
SMILES:CC1(C)C=C1C1=CC=CC=C1
InChI:1S/C11H12/c1-11(2)8-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey:LXSJYXCAGFFKOR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:188.2472
Molecular Formula:C11H13N3
SMILES:[2H][C@H]1C(C)(C)[C@]1(N=[N+]=[N-])C1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:44.0342
Molecular Formula:HN3
SMILES:[2H]N=[N+]=[N-]
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:170.3241
Molecular Formula:C9H18OSi
SMILES:[H]C1=C(CCCC1)O[Si](C)(C)C
InChI:1S/C9H18OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
InChIKey:SBEMOANGDSSPJY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:213.3522
Molecular Formula:C9H19N3OSi
SMILES:C[Si](C)(C)OC1(CCCCC1)N=[N+]=[N-]
InChI:1S/C9H19N3OSi/c1-14(2,3)13-9(11-12-10)7-5-4-6-8-9/h4-8H2,1-3H3
InChIKey:YFHHBCWYZFYUJL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:43.028
Molecular Formula:HN3
SMILES:[H]N=[N+]=[N-]
InChI:1S/HN3/c1-3-2/h1H
InChIKey:JUINSXZKUKVTMD-UHFFFAOYSA-N
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Compound Information
Drug synonym:methylene chloride, methylene dichloride
Molecular Weight:84.933
Molecular Formula:CH2Cl2
SMILES:ClCCl
InChI:1S/CH2Cl2/c2-1-3/h1H2
InChIKey:YMWUJEATGCHHMB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.1589
Molecular Formula:C6H12O
SMILES:CC(C)COC=C
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:143.1869
Molecular Formula:C6H13N3O
SMILES:CC(C)COC(C)N=[N+]=[N-]
InChI:1S/C6H13N3O/c1-5(2)4-10-6(3)8-9-7/h5-6H,4H2,1-3H3
InChIKey:CLAPUPFXENIQDG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:158.2396
Molecular Formula:C12H14
SMILES:C1CCC(=CC1)C1=CC=CC=C1
InChI:1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2
InChIKey:WCMSFBRREKZZFL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:201.2676
Molecular Formula:C12H15N3
SMILES:[N-]=[N+]=NC1(CCCCC1)C1=CC=CC=C1
InChI:1S/C12H15N3/c13-15-14-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey:URDOPVIVMKFFHV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:189.679
Molecular Formula:Cl4Ti
SMILES:Cl[Ti](Cl)(Cl)Cl
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:96.1702
Molecular Formula:C7H12
SMILES:CC1=CCCCC1
InChI:1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChIKey:CTMHWPIWNRWQEG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:139.1982
Molecular Formula:C7H13N3
SMILES:CC1(CCCCC1)N=[N+]=[N-]
InChI:1S/C7H13N3/c1-7(9-10-8)5-3-2-4-6-7/h2-6H2,1H3
InChIKey:UTETZECQGJWAQJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:80.1277
Molecular Formula:C6H8
SMILES:C1CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:123.1558
Molecular Formula:C6H9N3
SMILES:[N-]=[N+]=NC1CCCC=C1
InChI:1S/C6H9N3/c7-9-8-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2
InChIKey:KKAWZKUTSDQAJT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:115.2092
Molecular Formula:C3H9N3Si
SMILES:C[Si](C)(C)N=[N+]=[N-]
InChI:1S/C3H9N3Si/c1-7(2,3)6-5-4/h1-3H3
InChIKey:SEDZOYHHAIAQIW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:96.106
Molecular Formula:CH4O3S
SMILES:CS(O)(=O)=O
InChI:1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
InChIKey:AFVFQIVMOAPDHO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:60.0843
Molecular Formula:O2Si
SMILES:O=[Si]=O
InChI:1S/O2Si/c1-3-2
InChIKey:VYPSYNLAJGMNEJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.077
Molecular Formula:CHF3O3S
SMILES:OS(=O)(=O)C(F)(F)F
InChI:1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
InChIKey:ITMCEJHCFYSIIV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.143
Molecular Formula:C6H10O
SMILES:CC(C)=CC(C)=O
InChI:1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
InChIKey:SHOJXDKTYKFBRD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:141.171
Molecular Formula:C6H11N3O
SMILES:CC(=O)CC(C)(C)N=[N+]=[N-]
InChI:1S/C6H11N3O/c1-5(10)4-6(2,3)8-9-7/h4H2,1-3H3
InChIKey:FRNHBCDOMRJSBQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:ethanoic acid
Molecular Weight:60.052
Molecular Formula:C2H4O2
SMILES:CC(O)=O
InChI:1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey:QTBSBXVTEAMEQO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:297.3484
Molecular Formula:C18H19NO3
SMILES:CC(C)(C(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O
InChI:1S/C18H19NO3/c1-18(2,17(21)22)15(13-9-5-3-6-10-13)19-16(20)14-11-7-4-8-12-14/h3-12,15H,1-2H3,(H,19,20)(H,21,22)
InChIKey:DXHQHIYAKQFNGV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:268.3535
Molecular Formula:C17H20N2O
SMILES:CC(C)(N)C(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C17H20N2O/c1-17(2,18)15(13-9-5-3-6-10-13)19-16(20)14-11-7-4-8-12-14/h3-12,15H,18H2,1-2H3,(H,19,20)
InChIKey:UODBZDIYCULNQP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:65.0099
Molecular Formula:N3Na
SMILES:[Na+].[N-]=[N+]=[N-]
InChI:1S/N3.Na/c1-3-2;/q-1;+1
InChIKey:PXIPVTKHYLBLMZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.078
Molecular Formula:H2O4S
SMILES:OS(O)(=O)=O
InChI:1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
InChIKey:QAOWNCQODCNURD-UHFFFAOYSA-N
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Compound Information
Drug synonym:trichloromethane
Molecular Weight:119.378
Molecular Formula:CHCl3
SMILES:ClC(Cl)Cl
InChI:1S/CHCl3/c2-1(3)4/h1H
InChIKey:HEDRZPFGACZZDS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.143
Molecular Formula:C6H10O
SMILES:O=C1CCCCC1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:113.1576
Molecular Formula:C6H11NO
SMILES:O=C1CCCCCN1
InChI:1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey:JBKVHLHDHHXQEQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:1,5‐pentamethylenetetrazole, pentylenetetrazol
Molecular Weight:138.1704
Molecular Formula:C6H10N4
SMILES:C1CCN2N=NN=C2CC1
InChI:1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
InChIKey:CWRVKFFCRWGWCS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:46.0684
Molecular Formula:C2H6O
SMILES:CCO
InChI:1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKey:LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:141.2108
Molecular Formula:C8H15NO
SMILES:CCOC1=NCCCCC1
InChI:1S/C8H15NO/c1-2-10-8-6-4-3-5-7-9-8/h2-7H2,1H3
InChIKey:WZJYOZNDBRCFFG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:182.2179
Molecular Formula:C13H10O
SMILES:OC1C2=C(C=CC=C2)C2=C1C=CC=C2
InChI:1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
InChIKey:AFMVESZOYKHDBJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:207.2307
Molecular Formula:C13H9N3
SMILES:[N-]=[N+]=NC1C2=C(C=CC=C2)C2=C1C=CC=C2
InChI:1S/C13H9N3/c14-16-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H
InChIKey:POJUGTQVVISLBM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Trichloracetic acid
Molecular Weight:163.387
Molecular Formula:C2HCl3O2
SMILES:OC(=O)C(Cl)(Cl)Cl
InChI:1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey:YNJBWRMUSHSURL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:114.1855
Molecular Formula:C7H14O
SMILES:CC(C)(O)CCC=C
InChI:1S/C7H14O/c1-4-5-6-7(2,3)8/h4,8H,1,5-6H2,2-3H3
InChIKey:RVHXDRXNRJQLGG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:139.1982
Molecular Formula:C7H13N3
SMILES:CC(C)(CCC=C)N=[N+]=[N-]
InChI:1S/C7H13N3/c1-4-5-6-7(2,3)9-10-8/h4H,1,5-6H2,2-3H3
InChIKey:MCLCYZAQJQIVAO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.214
Molecular Formula:C8H8OS
SMILES:C[C@H](O)C1=CC(=CS1)C#C
InChI:1S/C8H8OS/c1-3-7-4-8(6(2)9)10-5-7/h1,4-6,9H,2H3/t6-/m0/s1
InChIKey:GRZBTDFINXUJGL-LURJTMIESA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:177.226
Molecular Formula:C8H7N3S
SMILES:C[C@@H](N=[N+]=[N-])C1=CC(=CS1)C#C
InChI:1S/C8H7N3S/c1-3-7-4-8(12-5-7)6(2)10-11-9/h1,4-6H,2H3/t6-/m1/s1
InChIKey:XPYBFHUSIUMKMJ-ZCFIWIBFSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:262.2855
Molecular Formula:C18H15P
SMILES:C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey:RIOQSEWOXXDEQQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.1546
Molecular Formula:C6H10N2O4
SMILES:CCOC(=O)\N=N\C(=O)OCC
InChI:1S/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3/b8-7+
InChIKey:FAMRKDQNMBBFBR-BQYQJAHWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:92.1384
Molecular Formula:C7H8
SMILES:CC1=CC=CC=C1
InChI:1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey:YXFVVABEGXRONW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:188.1779
Molecular Formula:C8H12O5
SMILES:[CH3:13][CH2:12][O:10][C:1](=[O:11])[C@@H:2]1[O:9][C@H:3]1[C:4](=[O:6])[O:5][CH2:7][CH3:8]
InChI:1S/C8H12O5/c1-3-11-7(9)5-6(13-5)8(10)12-4-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey:LDFQMMUIJQDSAB-PHDIDXHHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:231.2059
Molecular Formula:C8H13N3O5
SMILES:[CH3:8][CH2:7][O:5][C:4](=[O:6])[C@H:1]([OH:3])[C@H:2](N=[N+]=[N-])[C:9](=[O:10])[O:11][CH2:12][CH3:13]
InChI:1S/C8H13N3O5/c1-3-15-7(13)5(10-11-9)6(12)8(14)16-4-2/h5-6,12H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKey:PAYWEEWLNCAURI-NTSWFWBYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:73.0938
Molecular Formula:C3H7NO
SMILES:CN(C)C=O
InChI:1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
InChIKey:ZMXDDKWLCZADIW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.1696
Molecular Formula:C7H12O
SMILES:CC12CCCCC1O2
InChI:1S/C7H12O/c1-7-5-3-2-4-6(7)8-7/h6H,2-5H2,1H3
InChIKey:FIEKVYPYFQSFTP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:155.1976
Molecular Formula:C7H13N3O
SMILES:C[C@]1(CCCC[C@H]1O)N=[N+]=[N-]
InChI:1S/C7H13N3O/c1-7(9-10-8)5-3-2-4-6(7)11/h6,11H,2-5H2,1H3/t6-,7-/m1/s1
InChIKey:XNNJMTWCMITJHV-RNFRBKRXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:114.1648
Molecular Formula:C6H15Al
SMILES:CC[Al](CC)CC
InChI:1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3;
InChIKey:VOITXYVAKOUIBA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:156.2237
Molecular Formula:C12H12
SMILES:CCC1=CC2=C(C=CC=C2)C=C1
InChI:1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
InChIKey:RJTJVVYSTUQWNI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:197.2358
Molecular Formula:C12H11N3
SMILES:CC(N=[N+]=[N-])C1=CC2=CC=CC=C2C=C1
InChI:1S/C12H11N3/c1-9(14-15-13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3
InChIKey:OYDIIQABGXOBJL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:227.004
Molecular Formula:C8Cl2N2O2
SMILES:ClC1=C(Cl)C(=O)C(C#N)=C(C#N)C1=O
InChI:1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13
InChIKey:HZNVUJQVZSTENZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:dimethyl sulphoxide
Molecular Weight:78.133
Molecular Formula:C2H6OS
SMILES:CS(C)=O
InChI:1S/C2H6OS/c1-4(2)3/h1-2H3
InChIKey:IAZDPXIOMUYVGZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:93.148
Molecular Formula:C2H7NOS
SMILES:CS(C)(=N)=O
InChI:1S/C2H7NOS/c1-5(2,3)4/h3H,1-2H3
InChIKey:DTGSFFWQUULHIF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:328.214
Molecular Formula:C14H11Cl2NO2S
SMILES:ClCC(=O)NC1=C(C=C(Cl)C=C1)S(=O)C1=CC=CC=C1
InChI:1S/C14H11Cl2NO2S/c15-9-14(18)17-12-7-6-10(16)8-13(12)20(19)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKey:ZTHLGLGSXYHZSS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:290.768
Molecular Formula:C14H11ClN2OS
SMILES:ClCC1=NC2=C(C=CC=C2)S(=O)(=N1)C1=CC=CC=C1
InChI:1S/C14H11ClN2OS/c15-10-14-16-12-8-4-5-9-13(12)19(18,17-14)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey:ZSRNZJWOCVGNQX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:119.1207
Molecular Formula:C7H5NO
SMILES:O=C=NC1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:162.1487
Molecular Formula:C7H6N4O
SMILES:[N-]=[N+]=NC(=O)NC1=CC=CC=C1
InChI:1S/C7H6N4O/c8-11-10-7(12)9-6-4-2-1-3-5-6/h1-5H,(H,9,12)
InChIKey:NKWZCQUWZZTPRH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:135.186
Molecular Formula:C7H5NS
SMILES:S=C=NC1=CC=CC=C1
InChI:1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey:QKFJKGMPGYROCL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:178.214
Molecular Formula:C7H6N4S
SMILES:N(C1=NN=NS1)C1=CC=CC=C1
InChI:1S/C7H6N4S/c1-2-4-6(5-3-1)8-7-9-10-11-12-7/h1-5H,(H,8,9,11)
InChIKey:WBIAWXNTQCZGMO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:36.461
Molecular Formula:ClH
SMILES:Cl[H]
InChI:1S/ClH/h1H
InChIKey:VEXZGXHMUGYJMC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:26.0174
Molecular Formula:CHN
SMILES:[C-:1]#[N:2]
InChI:1S/CN/c1-2/q-1
InChIKey:XFXPMWWXUTWYJX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:70.0534
Molecular Formula:CH2N4
SMILES:C1N=NN=N1
InChI:1S/CH2N4/c1-2-4-5-3-1/h1H2
InChIKey:DFRRALWXTFSAEC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:78.1118
Molecular Formula:C6H6
SMILES:C1=CC=CC=C1
InChI:1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey:UHOVQNZJYSORNB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:55.0785
Molecular Formula:C3H5N
SMILES:[H]C(C)C#N
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.1065
Molecular Formula:C3H6N4
SMILES:CCN1C=NN=N1
InChI:1S/C3H6N4/c1-2-7-3-4-5-6-7/h3H,2H2,1H3
InChIKey:PZDFYVBXRWSAON-UHFFFAOYSA-N
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Compound Information
Drug synonym:ethoxyethane, ethyl ether
Molecular Weight:74.1216
Molecular Formula:C4H10O
SMILES:CCOCC
InChI:1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
InChIKey:RTZKZFJDLAIYFH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:233.2631
Molecular Formula:C13H15NO3
SMILES:C(CC1=NCCCO1)C1=CC2=C(OCO2)C=C1
InChI:1S/C13H15NO3/c1-6-14-13(15-7-1)5-3-10-2-4-11-12(8-10)17-9-16-11/h2,4,8H,1,3,5-7,9H2
InChIKey:BYRDCEJWPFPSKB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:276.2911
Molecular Formula:C13H16N4O3
SMILES:[N-]=[N+]=NCCCNC(=O)CCC1=CC2=C(OCO2)C=C1
InChI:1S/C13H16N4O3/c14-17-16-7-1-6-15-13(18)5-3-10-2-4-11-12(8-10)20-9-19-11/h2,4,8H,1,3,5-7,9H2,(H,15,18)
InChIKey:GWYBQNUIQGUNEI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:32.0419
Molecular Formula:CH4O
SMILES:CO
InChI:1S/CH4O/c1-2/h2H,1H3
InChIKey:OKKJLVBELUTLKV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:134.1751
Molecular Formula:C9H10O
SMILES:COC(=C)C1=CC=CC=C1
InChI:1S/C9H10O/c1-8(10-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKey:SIZDIMDMQQFWLM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:121.1796
Molecular Formula:C8H11N
SMILES:[H]C1=CC=C(C=C1)C([H])(C)N
InChI:1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
InChIKey:RQEUFEKYXDPUSK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:114.0233
Molecular Formula:C2HF3O2
SMILES:OC(=O)C(F)(F)F
InChI:1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey:DTQVDTLACAAQTR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:37.954
Molecular Formula:AlH4Li
SMILES:[Li+].[H][Al-]([H])([H])[H]
InChI:1S/Al.Li.4H/q-1;+1;;;;
InChIKey:OCZDCIYGECBNKL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:103.1213
Molecular Formula:C7H5N
SMILES:N#CC1=CC=CC=C1
InChI:1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
InChIKey:JFDZBHWFFUWGJE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:146.1493
Molecular Formula:C7H6N4
SMILES:N1N=NN=C1C1=CC=CC=C1
InChI:1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)
InChIKey:MARUHZGHZWCEQU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:99.1311
Molecular Formula:C5H9NO
SMILES:CN1CCCC1=O
InChI:1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKey:SECXISVLQFMRJM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:18.0153
Molecular Formula:H2O
SMILES:[H]O[H]
InChI:1S/H2O/h1H2
InChIKey:XLYOFNOQVPJJNP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:205.253
Molecular Formula:C12H15NO2
SMILES:COC[C@@H]1N=C(C)O[C@@H]1c1ccccc1
InChI:1S/C12H15NO2/c1-9-13-11(8-14-2)12(15-9)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-,12+/m0/s1
InChIKey:AKFIXTAIQHJWAU-NWDGAFQWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:248.281
Molecular Formula:C12H16N4O2
SMILES:COC[C@H](NC(C)=O)[C@@H](N=[N+]=[N-])c1ccccc1
InChI:1S/C12H16N4O2/c1-9(17)14-11(8-18-2)12(15-16-13)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3,(H,14,17)/t11-,12-/m0/s1
InChIKey:AQZJXHLBOANADE-RYUDHWBXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:92.1384
Molecular Formula:C7H8
SMILES:C1[C@H]2C=C[C@@H]1C=C2
InChI:1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2/t6-,7+
InChIKey:SJYNFBVQFBRSIB-KNVOCYPGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:135.1665
Molecular Formula:C7H9N3
SMILES:[N-]=[N+]=N[C@@H]1C[C@@H]2C[C@H]1C=C2
InChI:1S/C7H9N3/c8-10-9-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2/t5-,6+,7+/m0/s1
InChIKey:CTYUYTLJJKGKND-RRKCRQDMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:217.2637
Molecular Formula:C13H15NO2
SMILES:CC(C)\C=C\C(=O)NC(=O)c1ccccc1
InChI:1S/C13H15NO2/c1-10(2)8-9-12(15)14-13(16)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,14,15,16)/b9-8+
InChIKey:UAJRAENOOXFYEQ-CMDGGOBGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:260.2917
Molecular Formula:C13H16N4O2
SMILES:CC(C)[C@H](CC(=O)NC(=O)c1ccccc1)N=[N+]=[N-]
InChI:1S/C13H16N4O2/c1-9(2)11(16-17-14)8-12(18)15-13(19)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,15,18,19)/t11-/m0/s1
InChIKey:OBKBXZGMFQJARU-NSHDSACASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:260.2917
Molecular Formula:C13H16N4O2
SMILES:CC(C)[C@@H](CC(=O)NC(=O)c1ccccc1)N=[N+]=[N-]
InChI:1S/C13H16N4O2/c1-9(2)11(16-17-14)8-12(18)15-13(19)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,15,18,19)/t11-/m1/s1
InChIKey:OBKBXZGMFQJARU-LLVKDONJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:586.8263
Molecular Formula:C37H55AlN2O2
SMILES:C[Al]1Oc2c(cc(cc2C(C)(C)C)C(C)(C)C)\C=N\[C@@H]2CCCC[C@H]2\N=C\c2cc(cc(c2O1)C(C)(C)C)C(C)(C)C
InChI:1S/C36H54N2O2.CH3.Al/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H3;/q;;+2/p-2/b37-21+,38-22+;;/t29-,30-;;/m1../s1
InChIKey:DESAYIFUNLKGNY-OHRASPNLSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:202.206
Molecular Formula:C12H10O3
SMILES:CC1(OC(=O)C=CC1=O)c1ccccc1
InChI:1S/C12H10O3/c1-12(9-5-3-2-4-6-9)10(13)7-8-11(14)15-12/h2-8H,1H3
InChIKey:YHOYJNAKBOGOCW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:217.2206
Molecular Formula:C12H11NO3
SMILES:CC1(OC(=O)C(N)=CC1=O)c1ccccc1
InChI:1S/C12H11NO3/c1-12(8-5-3-2-4-6-8)10(14)7-9(13)11(15)16-12/h2-7H,13H2,1H3
InChIKey:ZDNWEGQTJQYBRD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:108.0948
Molecular Formula:C6H4O2
SMILES:O=C1C=CC(=O)C=C1
InChI:1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey:AZQWKYJCGOJGHM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:151.1228
Molecular Formula:C6H5N3O2
SMILES:Oc1ccc(O)c(c1)N=[N+]=[N-]
InChI:1S/C6H5N3O2/c7-9-8-5-3-4(10)1-2-6(5)11/h1-3,10-11H
InChIKey:GECUOSUZVAGXEW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.2124
Molecular Formula:C11H12O
SMILES:CC(C)C(=C=O)c1ccccc1
InChI:1S/C11H12O/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKey:JOUZMNDVSQYYTG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:207.2689
Molecular Formula:C12H17NO2
SMILES:COC(=O)N[C@@H](C(C)C)c1ccccc1
InChI:1S/C12H17NO2/c1-9(2)11(13-12(14)15-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,13,14)/t11-/m0/s1
InChIKey:FELVLVFBUHQNNO-NSHDSACASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:207.2689
Molecular Formula:C12H17NO2
SMILES:COC(=O)N[C@H](C(C)C)c1ccccc1
InChI:1S/C12H17NO2/c1-9(2)11(13-12(14)15-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,13,14)/t11-/m1/s1
InChIKey:FELVLVFBUHQNNO-LLVKDONJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:321.238
Molecular Formula:C19H23FeN
SMILES:[Fe].C[C]1[C](C)[C](C)[C](C)[C]1C.CC1=CC=N[C]2[CH][CH][CH][C]12
InChI:1S/C10H20.C9H13N.Fe/c1-6-7(2)9(4)10(5)8(6)3;1-7-5-6-10-9-4-2-3-8(7)9;/h6-10H,1-5H3;5-6,8-9H,2-4H2,1H3;
InChIKey:QQZJKKWEDVMKTP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:54.0474
Molecular Formula:C3H2O
SMILES:[O:4]=[CH:3][C:2]#[CH:1]
InChI:1S/C3H2O/c1-2-3-4/h1,3H
InChIKey:IJNJLGFTSIAHEA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:97.0754
Molecular Formula:C3H3N3O
SMILES:[N-]=[N+]=N\C=C\C=O
InChI:1S/C3H3N3O/c4-6-5-2-1-3-7/h1-3H/b2-1+
InChIKey:KTXQUVBNKPDYGE-OWOJBTEDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:97.0754
Molecular Formula:C3H3N3O
SMILES:O=Cc1cnn[nH]1
InChI:1S/C3H3N3O/c7-2-3-1-4-6-5-3/h1-2H,(H,4,5,6)
InChIKey:MOLKLIYWXFEEJM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:30.026
Molecular Formula:CH2O
SMILES:[H]C([H])=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:71.0381
Molecular Formula:CHN3O
SMILES:[N-]=[N+]=NC=O
InChI:1S/CHN3O/c2-4-3-1-5/h1H
InChIKey:XJRPXNWUCVZVJP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:215.555
Molecular Formula:C5H6ClCrNO3
SMILES:[O-][Cr](Cl)(=O)=O.C1=CC=[NH+]C=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:58.0361
Molecular Formula:C2H2O2
SMILES:[H]C(=O)C([H])=O
InChI:1S/C2H2O2/c3-1-2-4/h1-2H
InChIKey:LEQAOMBKQFMDFZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:227.9406
Molecular Formula:H5IO6
SMILES:O[I](O)(O)(O)(O)=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:116.1583
Molecular Formula:C6H12O2
SMILES:O[C@@H:5]1[CH2:6][CH2:1][CH2:2][CH2:3][C@H:4]1O
InChI:1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
InChIKey:PFURGBBHAOXLIO-PHDIDXHHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.1838
Molecular Formula:C6H10N6
SMILES:[N-]=[N+]=N[C@H]1CCCC[C@@H]1N=[N+]=[N-]
InChI:1S/C6H10N6/c7-11-9-5-3-1-2-4-6(5)10-12-8/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKey:VVOKGDAKFPYWTN-WDSKDSINSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.1838
Molecular Formula:C6H10N6
SMILES:[N-]=[N+]=N[C@@H]1CCCC[C@@H]1N=[N+]=[N-]
InChI:1S/C6H10N6/c7-11-9-5-3-1-2-4-6(5)10-12-8/h5-6H,1-4H2/t5-,6+
InChIKey:VVOKGDAKFPYWTN-OLQVQODUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:72.1057
Molecular Formula:C4H8O
SMILES:C1CCOC1
InChI:1S/C4H8O/c1-2-4-5-3-1/h1-4H2
InChIKey:WYURNTSHIVDZCO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:192.342
Molecular Formula:C8H16OS2
SMILES:CCC(O)C1(CC)SCCS1
InChI:1S/C8H16OS2/c1-3-7(9)8(4-2)10-5-6-11-8/h7,9H,3-6H2,1-2H3
InChIKey:GKDUXNAYTAXACL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:217.355
Molecular Formula:C8H15N3S2
SMILES:CC[C@H]1SCCS[C@]1(CC)N=[N+]=[N-]
InChI:1S/C8H15N3S2/c1-3-7-8(4-2,10-11-9)13-6-5-12-7/h7H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKey:SYNZNWRFKPIRFX-SFYZADRCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:217.355
Molecular Formula:C8H15N3S2
SMILES:CC[C@@H]1SCCS[C@]1(CC)N=[N+]=[N-]
InChI:1S/C8H15N3S2/c1-3-7-8(4-2,10-11-9)13-6-5-12-7/h7H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKey:SYNZNWRFKPIRFX-YUMQZZPRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:386.5259
Molecular Formula:Not Available
SMILES:CC(C*OCC*O)c1ccc(cc1)-c1ccc(cc1)C(*)CC(C*)c1ccccc1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:385.5411
Molecular Formula:Not Available
SMILES:CC(C*OCC*N)c1ccc(cc1)-c1ccc(cc1)C(*)CC(C*)c1ccccc1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:202.2078
Molecular Formula:C8H14N2O4
SMILES:CC(C)OC(=O)\N=N\C(=O)OC(C)C
InChI:1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3/b10-9+
InChIKey:VVWRJUBEIPHGQF-MDZDMXLPSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:283.1731
Molecular Formula:C10H7F6N3
SMILES:Cc1ccc(cc1)C(N=[N+]=[N-])(C(F)(F)F)C(F)(F)F
InChI:1S/C10H7F6N3/c1-6-2-4-7(5-3-6)8(18-19-17,9(11,12)13)10(14,15)16/h2-5H,1H3
InChIKey:LYDPJGVXROAXTN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:373.285
Molecular Formula:C23H17Br
SMILES:BrC1C(=CC(=C1c1ccccc1)c1ccccc1)c1ccccc1
InChI:1S/C23H17Br/c24-23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(23)19-14-8-3-9-15-19/h1-16,23H
InChIKey:UPPKHJKIUJAIMG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:335.4012
Molecular Formula:C23H17N3
SMILES:[N-]=[N+]=NC1=C(CC(=C1c1ccccc1)c1ccccc1)c1ccccc1
InChI:1S/C23H17N3/c24-26-25-23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(23)19-14-8-3-9-15-19/h1-15H,16H2
InChIKey:BVJMKGNDUMUPMR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:239.053
Molecular Formula:C8H8Cl2O4
SMILES:COC(=O)C(\Cl)=C/C=C(\Cl)C(=O)OC
InChI:1S/C8H8Cl2O4/c1-13-7(11)5(9)3-4-6(10)8(12)14-2/h3-4H,1-2H3/b5-3-,6-4+
InChIKey:YDPWYNYVGVBHKU-CIIODKQPSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:252.1869
Molecular Formula:C8H8N6O4
SMILES:COC(=O)C(=C/C=C(\N=[N+]=[N-])C(=O)OC)\N=[N+]=[N-]
InChI:1S/C8H8N6O4/c1-17-7(15)5(11-13-9)3-4-6(12-14-10)8(16)18-2/h3-4H,1-2H3/b5-3-,6-4+
InChIKey:RVZGXKWALWNZRM-CIIODKQPSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:216.231
Molecular Formula:C10H16O5
SMILES:CCOC=C(C(=O)OCC)C(=O)OCC
InChI:1S/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3
InChIKey:LTMHNWPUDSTBKD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:185.1772
Molecular Formula:C8H11NO4
SMILES:CCOC(=O)C1=C(OCC)ON=C1
InChI:1S/C8H11NO4/c1-3-11-7(10)6-5-9-13-8(6)12-4-2/h5H,3-4H2,1-2H3
InChIKey:RQVJRNFLYNRAEO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:180.2005
Molecular Formula:C10H12O3
SMILES:COc1ccccc1OCC1CO1
InChI:1S/C10H12O3/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3
InChIKey:RJNVSQLNEALZLC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:180.2005
Molecular Formula:C10H12O3
SMILES:COc1ccccc1OC[C@H]1CO1
InChI:1S/C10H12O3/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3/t8-/m1/s1
InChIKey:RJNVSQLNEALZLC-MRVPVSSYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:180.2005
Molecular Formula:C10H12O3
SMILES:COc1ccccc1OC[C@@H]1CO1
InChI:1S/C10H12O3/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKey:RJNVSQLNEALZLC-QMMMGPOBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:223.2285
Molecular Formula:C10H13N3O3
SMILES:COc1ccccc1OC[C@@H](O)CN=[N+]=[N-]
InChI:1S/C10H13N3O3/c1-15-9-4-2-3-5-10(9)16-7-8(14)6-12-13-11/h2-5,8,14H,6-7H2,1H3/t8-/m0/s1
InChIKey:NUWVUTBUFDNXQO-QMMMGPOBSA-N
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Compound Information
Drug synonym:beta‐cyclodextrin, Î²â€cyclodextrin
Molecular Weight:1134.9843
Molecular Formula:C42H70O35
SMILES:OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
InChI:1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2
InChIKey:WHGYBXFWUBPSRW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:96.1271
Molecular Formula:C6H8O
SMILES:C1C=CCC2OC12
InChI:1S/C6H8O/c1-2-4-6-5(3-1)7-6/h1-2,5-6H,3-4H2
InChIKey:QLQSJLSVPZCPPZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:164.1679
Molecular Formula:C6H8N6
SMILES:[N-]=[N+]=N[C@@H]1CC=CC[C@@H]1N=[N+]=[N-]
InChI:1S/C6H8N6/c7-11-9-5-3-1-2-4-6(5)10-12-8/h1-2,5-6H,3-4H2/t5-,6+
InChIKey:KPRARVDAEPLFFF-OLQVQODUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:131.1745
Molecular Formula:C9H9N
SMILES:C1N2CC12C1=CC=CC=C1
InChI:1S/C9H9N/c1-2-4-8(5-3-1)9-6-10(9)7-9/h1-5H,6-7H2
InChIKey:HYSAJZJNEJKIMJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.2025
Molecular Formula:C9H10N4
SMILES:[N-]=[N+]=NC1(CNC1)c1ccccc1
InChI:1S/C9H10N4/c10-13-12-9(6-11-7-9)8-4-2-1-3-5-8/h1-5,11H,6-7H2
InChIKey:ZDWCKBBMXCUJRT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:107.1531
Molecular Formula:C7H9N
SMILES:[H]C1=CC(N)=C(C)C([H])=C1[H]
InChI:1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
InChIKey:RNVCVTLRINQCPJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:107.1531
Molecular Formula:C7H9N
SMILES:[H]C1=CC(N)=C([H])C(C)=C1[H]
InChI:1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
InChIKey:JJYPMNFTHPTTDI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:107.1531
Molecular Formula:C7H9N
SMILES:[H]C1=C(C)C=CC(N)=C1[H]
InChI:1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
InChIKey:RZXMPPFPUUCRFN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:320.3865
Molecular Formula:C23H16N2
SMILES:[N-]=[N+]=C1C(=CC(=C1c1ccccc1)c1ccccc1)c1ccccc1
InChI:1S/C23H16N2/c24-25-23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(23)19-14-8-3-9-15-19/h1-16H
InChIKey:OHDHTFOFZOPOLQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:335.4012
Molecular Formula:C23H17N3
SMILES:[N-]=[N+]=NC1=C(CC(=C1c1ccccc1)c1ccccc1)c1ccccc1
InChI:1S/C23H17N3/c24-26-25-23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(23)19-14-8-3-9-15-19/h1-15H,16H2
InChIKey:BVJMKGNDUMUPMR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:235.9238
Molecular Formula:AsF7N2
SMILES:F[N+]#N.F[As-](F)(F)(F)(F)F
InChI:1S/AsF6.FN2/c2-1(3,4,5,6)7;1-3-2/q-1;+1
InChIKey:GBQIOEIWEDLFHN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:258.9455
Molecular Formula:AsF6N5
SMILES:N#[N+][N-][N+]#N.F[As-](F)(F)(F)(F)F
InChI:1S/AsF6.N5/c2-1(3,4,5,6)7;1-3-5-4-2/q-1;+1
InChIKey:NUDNXBNRRNVSRH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:20.00634
Molecular Formula:FH
SMILES:F[H]
InChI:1S/FH/h1H
InChIKey:KRHYYFGTRYWZRS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:282.76
Molecular Formula:F7N2Sb
SMILES:F[N+]#N.F[Sb-](F)(F)(F)(F)F
InChI:1S/FN2.6FH.Sb/c1-3-2;;;;;;;/h;6*1H;/q+1;;;;;;;+5/p-6
InChIKey:RTCRBFXJLPRVLR-UHFFFAOYSA-H
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Compound Information
Drug synonym:Not Available
Molecular Weight:305.78
Molecular Formula:F6N5Sb
SMILES:N#[N+][N-][N+]#N.F[Sb-](F)(F)(F)(F)F
InChI:1S/6FH.N5.Sb/c;;;;;;1-3-5-4-2;/h6*1H;;/q;;;;;;+1;+5/p-6
InChIKey:BSTJKZVEXJSDBB-UHFFFAOYSA-H
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