Deacetylthiocolchicine chlorhydrate
From DrugPedia: A Wikipedia for Drug discovery
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| PubChem = 84047 | | PubChem = 84047 | ||
| DrugBank = | | DrugBank = | ||
| - | | ChemSpiderID = | + | | ChemSpiderID = 75832 |
| chemical_formula =C<sub>2</sub><sub>0</sub>H<sub>2</sub><sub>4</sub>ClNO<sub>4</sub>S | | chemical_formula =C<sub>2</sub><sub>0</sub>H<sub>2</sub><sub>4</sub>ClNO<sub>4</sub>S | ||
| molecular_weight = 409.92686 | | molecular_weight = 409.92686 | ||
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2114 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2114 Link to BIAdb Database] | ||
| + | [[Category:BIAdb_old]] | ||
Current revision
| Deacetylthiocolchicine chlorhydrate
| |
| Systematic (IUPAC) name | |
| (7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[g]heptalen-9-one hydrochloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| ChemSpider | |
| Chemical data | |
| Formula | C20H24ClNO4S |
| Mol. mass | 409.92686 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] Description
[edit] General Properties
*Molecular Weight
409.92686
*Molecular Formula
C20H24ClNO4S
*IUPAC NAME
(7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[g]heptalen-9-one hydrochloride
*Canonical Smiles
COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N)OC)OC.Cl
*Isomeric Smiles
COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)OC.Cl
*XLogP
N/A
*Topological Polar Surface Area
70.8
