Morphine-3-glucuronide
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1391 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1391 Link to BIAdb Database] | ||
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Revision as of 11:17, 10 December 2009
| Morphine-3-glucuronide
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C23H27NO9 |
| Mol. mass | 461.46178 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Description
RN given refers to (5alpha,6alpha)-isomer
General Properties
*Molecular Weight
461.46178
*Molecular Formula
C23H27NO9
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC23C4C1CC5=C2C(=C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O)OC3C(C=C4)O
*Isomeric Smiles
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3C(C=C4)O
*XLogP
-0.6
*Topological Polar Surface Area
149
