Atropine
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Revision as of 00:00, 15 January 2001 by Special:Contributions/ (Talk)
| Atropine
| |
| Systematic (IUPAC) name | |
| [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]3-hydroxy-2-phenylpropanoate; sulfuric acid; hydrate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C34H50N2O11S |
| Mol. mass | 694.8326 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Description
An alkaloid, originally from Atropa belladonna, but found in other plants, mainly SOLANACEAE.
General Properties
*Molecular Weight
694.8326
*Molecular Formula
C34H50N2O11S
*IUPAC NAME
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]3-hydroxy-2-phenylpropanoate; sulfuric acid; hydrate
*Canonical Smiles
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
*Isomeric Smiles
CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
*XLogP
N/A
*Topological Polar Surface Area
175
