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Featured Compounds

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Compound MI
Drug synonym:hexadecylphosphocholine, Miltefosine
Molecular Weight:407.568
Molecular Formula:C21H46NO4P
SMILES:CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
InChI:1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
InChIKey:PQLXHQMOHUQAKB-UHFFFAOYSA-N
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Compound 1
Drug synonym:Not Available
Molecular Weight:218.2087
Molecular Formula:C11H10N2O3
SMILES:NCC1=CC=C(NC2=C(O)C(=O)C2=O)C=C1
InChI:1S/C11H10N2O3/c12-5-6-1-3-7(4-2-6)13-8-9(14)11(16)10(8)15/h1-4,13-14H,5,12H2
InChIKey:IVVXYABVKIJXLR-UHFFFAOYSA-N
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Compound 2
Drug synonym:Not Available
Molecular Weight:262.2182
Molecular Formula:C12H10N2O5
SMILES:CCOC1=C(NC2=CC=C(C=C2)[N+]([O-])=O)C(=O)C1=O
InChI:1S/C12H10N2O5/c1-2-19-12-9(10(15)11(12)16)13-7-3-5-8(6-4-7)14(17)18/h3-6,13H,2H2,1H3
InChIKey:POZIPOSYQNZGEE-UHFFFAOYSA-N
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Compound 3
Drug synonym:Not Available
Molecular Weight:434.3585
Molecular Formula:C21H14N4O7
SMILES:OC1=C(NC2=CC=C(CNC3=C(NC4=CC=C(C=C4)[N+]([O-])=O)C(=O)C3=O)C=C2)C(=O)C1=O
InChI:1S/C21H14N4O7/c26-17-14(15(18(17)27)23-12-5-7-13(8-6-12)25(31)32)22-9-10-1-3-11(4-2-10)24-16-19(28)21(30)20(16)29/h1-8,22-24,28H,9H2
InChIKey:UHOPWRPCHFQICT-UHFFFAOYSA-N
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Compound 4
Drug synonym:Not Available
Molecular Weight:456.3403
Molecular Formula:C21H13N4NaO7
SMILES:[Na+].[O-]C1=C(NC2=CC=C(CNC3=C(NC4=CC=C(C=C4)[N+]([O-])=O)C(=O)C3=O)C=C2)C(=O)C1=O
InChI:1S/C21H14N4O7.Na/c26-17-14(15(18(17)27)23-12-5-7-13(8-6-12)25(31)32)22-9-10-1-3-11(4-2-10)24-16-19(28)21(30)20(16)29;/h1-8,22-24,28H,9H2;/q;+1/p-1
InChIKey:HJRWRFMSTPHMQS-UHFFFAOYSA-M
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Compound 5
Drug synonym:Not Available
Molecular Weight:323.3028
Molecular Formula:C17H13N3O4
SMILES:[O-][N+](=O)C1=CC=C(NC2=C(NCC3=CC=CC=C3)C(=O)C2=O)C=C1
InChI:1S/C17H13N3O4/c21-16-14(18-10-11-4-2-1-3-5-11)15(17(16)22)19-12-6-8-13(9-7-12)20(23)24/h1-9,18-19H,10H2
InChIKey:ZUOIEVHZJHKPMB-UHFFFAOYSA-N
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Compound 6
Drug synonym:Not Available
Molecular Weight:558.4068
Molecular Formula:C26H16N4Na2O8
SMILES:[Na+].[Na+].[O-]C1=C(NC2=CC=C(CNC3=C(NCC4=CC=C(NC5=C([O-])C(=O)C5=O)C=C4)C(=O)C3=O)C=C2)C(=O)C1=O
InChI:1S/C26H18N4O8.2Na/c31-19-15(27-9-11-1-5-13(6-2-11)29-17-21(33)25(37)22(17)34)16(20(19)32)28-10-12-3-7-14(8-4-12)30-18-23(35)26(38)24(18)36;;/h1-8,27-30,33,35H,9-10H2;;/q;2*+1/p-2
InChIKey:JGVOBLYFUVCVTK-UHFFFAOYSA-L
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