4,4'-methylenebis(2-chloroaniline)-N-glucuronide
(2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Mboca-glucuronide|4,4'-Methylenebis(2-chloroaniline)-N-glucuronide|4,4/'-Methylenebis(2-chloroaniline)-N-glucuronide|(2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid|N-{4-[(4-Amino-3-chlorophenyl)methyl]-2-chlorophenyl}-beta-D-glucopyranuronosylamine|beta-D-Glucopyranuronic acid, 1-((4-((4-amino-3-chlorophenyl)methyl)-2-chlorophenyl)amino)-1-deoxy-
| Molecular Formula | C19H20Cl2N2O6 |
|---|---|
| Molecular Weight | 442.06985 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.06985 |
| Monoisotopic Mass | 442.06985 |
| Heavy Atoms | 29 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 102411-06-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC2=CC(=C(C=C2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Cl)N |
| InChIKey | WAHSIPRGCUJVRE-IECFSIQFSA-N |
Product Overview
4,4'-methylenebis(2-chloroaniline)-N-glucuronide (CAS 102411-06-3), with molecular formula C19H20Cl2N2O6 and molecular weight 442.06985 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid.
4,4'-methylenebis(2-chloroaniline)-N-glucuronide is a custom synthesis product. We offer services from milligram to kilogram scale.
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