Normorphine-3-glucuronide
6-[[(4aR,12bS)-7-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Normorphine 3-glucuronide|Normorphine-3-glucuronide|6-hydroxy-7,8-didehydro-4,5-epoxymorphinan-3-yl hexopyranosiduronic acid|6-[[(4aR,12bS)-7-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|beta-D-Glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-6-hydroxymorphinan-3-yl
| Molecular Formula | C22H25NO9 |
|---|---|
| Molecular Weight | 447.15292 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.15292 |
| Monoisotopic Mass | 447.15292 |
| Heavy Atoms | 32 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 78299-79-3 |
|---|---|
| SMILES | C1CNC2CC3=C4[C@@]15[C@H]2C=CC(C5OC4=C(C=C3)OC6C(C(C(C(O6)C(=O)O)O)O)O)O |
| InChIKey | AZRPPLMNKUSBGC-DFMBEAGPSA-N |
Product Overview
Normorphine-3-glucuronide (CAS 78299-79-3), with molecular formula C22H25NO9 and molecular weight 447.15292 g/mol. IUPAC: 6-[[(4aR,12bS)-7-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
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