3-demethylthiocolchicine
From DrugPedia: A Wikipedia for Drug discovery
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Current revision
| 3-demethylthiocolchicine
| |
| Systematic (IUPAC) name | |
| N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| ChemSpider | |
| Chemical data | |
| Formula | C21H23NO5S |
| Mol. mass | 401.47602 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
RN and structure given in first source; RN not in Chemline 10/85
[edit] General Properties
*Molecular Weight
401.47602
*Molecular Formula
C21H23NO5S
*IUPAC NAME
N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
*Canonical Smiles
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O
*Isomeric Smiles
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O
*XLogP
1.7
*Topological Polar Surface Area
84.9
[edit] Toxicity
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 11300ug/kg (11.3mg/kg) Journal of Medicinal Chemistry. Vol. 28, Pg. 1204, 1985.
