BIAdb Colchicine analog 1877
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Colchicine analog 1877
| |
| Systematic (IUPAC) name | |
| butylN-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]carbamate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C25H31NO6S |
| Mol. mass | 473.58174 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
473.58174
*Exact Mass
473.187208
*Molecular Formula
C25H31NO6S
*IUPAC NAME
butylN-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]carbamate
*Canonical Smiles
CCCCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC
*Isomeric Smiles
CCCCOC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC
*XLogP
3.4
*Hydrogen bond donor
1
*Hydrogen bond acceptor
6
*Rotational Bond Count
9
*Topological Polar Surface Area
83.1
