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Compound 2
Drug synonym:Not Available
Molecular Weight:219.3657
Molecular Formula:C15H25N
SMILES:CC1(C)C2CCC1(C)C(=C2)N1CCCCC1
InChI:1S/C15H25N/c1-14(2)12-7-8-15(14,3)13(11-12)16-9-5-4-6-10-16/h11-12H,4-10H2,1-3H3
InChIKey:RDFYKWGPJWXGKQ-UHFFFAOYSA-N
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Compound exo-3
Drug synonym:Not Available
Molecular Weight:565.297
Molecular Formula:C27H26BF10N
SMILES:[H][B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1([H])C2CCC(C)(C1=[N+]1CCCCC1)C2(C)C
InChI:1S/C27H26BF10N/c1-26(2)11-7-8-27(26,3)25(39-9-5-4-6-10-39)12(11)28(13-15(29)19(33)23(37)20(34)16(13)30)14-17(31)21(35)24(38)22(36)18(14)32/h11-12,28H,4-10H2,1-3H3
InChIKey:XFSRSJZWAGEVNZ-UHFFFAOYSA-N
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Compound endo-3
Drug synonym:Not Available
Molecular Weight:565.297
Molecular Formula:C27H26BF10N
SMILES:[H][B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1([H])C2CCC(C)(C1=[N+]1CCCCC1)C2(C)C
InChI:1S/C27H26BF10N/c1-26(2)11-7-8-27(26,3)25(39-9-5-4-6-10-39)12(11)28(13-15(29)19(33)23(37)20(34)16(13)30)14-17(31)21(35)24(38)22(36)18(14)32/h11-12,28H,4-10H2,1-3H3
InChIKey:XFSRSJZWAGEVNZ-UHFFFAOYSA-N
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Compound 1
Drug synonym:1,7,7‐trimethylbicyclo[2.2.1]heptan‐2‐one
Molecular Weight:152.2334
Molecular Formula:C10H16O
SMILES:CC1(C)C2CCC1(C)C(=O)C2
InChI:1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
InChIKey:DSSYKIVIOFKYAU-UHFFFAOYSA-N
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Compound 4a
Drug synonym:Not Available
Molecular Weight:567.313
Molecular Formula:C27H26BF10N
SMILES:[H][B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1([H])C2CCC(C)(C1([H])[N+]1([H])CCCCC1)C2(C)C
InChI:1S/C27H27BF10N/c1-26(2)11-7-8-27(26,3)25(39-9-5-4-6-10-39)12(11)28(13-15(29)19(33)23(37)20(34)16(13)30)14-17(31)21(35)24(38)22(36)18(14)32/h11-12,25,28H,4-10H2,1-3H3/q-1/p+1
InChIKey:OEDGVEVFTBINKS-UHFFFAOYSA-O
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Compound 4a-D2
Drug synonym:Not Available
Molecular Weight:569.325
Molecular Formula:C27H28BF10N
SMILES:[H]C1(C2CCC(C)(C1([H])[N+]1([2H])CCCCC1)C2(C)C)[B-]([2H])(C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(F)=C(F)C(F)=C1F
InChI:Not Available
InChIKey:Not Available
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Compound 4b
Drug synonym:Not Available
Molecular Weight:567.313
Molecular Formula:C27H26BF10N
SMILES:[H][B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1([H])C2CCC(C)(C1([H])[N+]1([H])CCCCC1)C2(C)C
InChI:1S/C27H27BF10N/c1-26(2)11-7-8-27(26,3)25(39-9-5-4-6-10-39)12(11)28(13-15(29)19(33)23(37)20(34)16(13)30)14-17(31)21(35)24(38)22(36)18(14)32/h11-12,25,28H,4-10H2,1-3H3/q-1/p+1
InChIKey:OEDGVEVFTBINKS-UHFFFAOYSA-O
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Compound 4b-D2
Drug synonym:Not Available
Molecular Weight:569.325
Molecular Formula:C27H28BF10N
SMILES:[H]C1(C2CCC(C)(C1([H])[N+]1([2H])CCCCC1)C2(C)C)[B-]([2H])(C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(F)=C(F)C(F)=C1F
InChI:Not Available
InChIKey:Not Available
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Compound 5a
Drug synonym:Not Available
Molecular Weight:567.313
Molecular Formula:C27H26BF10N
SMILES:[H][B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1([H])C2CCC(C)(C1([H])[N+]1([H])CCCCC1)C2(C)C
InChI:1S/C27H27BF10N/c1-26(2)11-7-8-27(26,3)25(39-9-5-4-6-10-39)12(11)28(13-15(29)19(33)23(37)20(34)16(13)30)14-17(31)21(35)24(38)22(36)18(14)32/h11-12,25,28H,4-10H2,1-3H3/q-1/p+1
InChIKey:OEDGVEVFTBINKS-UHFFFAOYSA-O
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Compound 5b
Drug synonym:Not Available
Molecular Weight:567.313
Molecular Formula:C27H26BF10N
SMILES:[H][B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1([H])C2CCC(C)(C1([H])[N+]1([H])CCCCC1)C2(C)C
InChI:1S/C27H27BF10N/c1-26(2)11-7-8-27(26,3)25(39-9-5-4-6-10-39)12(11)28(13-15(29)19(33)23(37)20(34)16(13)30)14-17(31)21(35)24(38)22(36)18(14)32/h11-12,25,28H,4-10H2,1-3H3/q-1/p+1
InChIKey:OEDGVEVFTBINKS-UHFFFAOYSA-O
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