benzidine N-glucuronide
(2S,3S,4S,5R,6R)-6-[4-(4-aminophenyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Benzidine N-glucuronide|N-(beta-D-Glucopyranuronosyl)benzidine|n-(4'-aminobiphenyl-4-yl)-|A-d-glucopyranuronosylamine|N-(4'-Amino[1,1'-biphenyl]-4-yl)hexopyranuronosylamine|(2S,3S,4S,5R,6R)-6-[4-(4-aminophenyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid|N-(4'-Amino[1,1'-biphenyl]-4-yl)-beta-D-glucopyranuronosylamine|beta-D-Glucopyranuronic acid, 1-((4'-amino(1,1'-biphenyl)-4-yl)amino)-1-deoxy-|(2S,3S,4S,5R,6R)-6-({4'-AMINO-[1,1'-BIPHENYL]-4-YL}AMINO)-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID
| Molecular Formula | C18H20N2O6 |
|---|---|
| Molecular Weight | 360.13214 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.13214 |
| Monoisotopic Mass | 360.13214 |
| Heavy Atoms | 26 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 92018-97-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N |
| InChIKey | DWBONMREIKATNQ-ZOFXXKQRSA-N |
Product Overview
benzidine N-glucuronide (CAS 92018-97-8), with molecular formula C18H20N2O6 and molecular weight 360.13214 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[4-(4-aminophenyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid.
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