Glycocholic acid 3-glucuronide
From DrugPedia: A Wikipedia for Drug discovery
Contents |
[edit] Description
b-D-GlucopyranosIduronic acid, (3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl is found in the urine of leprosy patients. It is red in color similar to clofazimine. It is considered more polar than the parent drug. It is formed by hydrolytic deamination followed by glucuronidation.(PMID: 6120809)
[edit] General Properties
*Molecular Weight 641.75
*Molecular Formula C32H51NO12
*IUPAC NAME
(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl b-D-glucopyranosiduronic acid
*Canonical Smiles
CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(CCC4(C)C3CC(O)C12C)OC1OC(C(O)C(O)C1O)C(O)=O
*Isomeric Smiles
C[C@H](CCC(=O)NCC(O)=O)C1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
[edit] PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility
[edit] External Links
- [1]Human Metabolome DataBase
