BIAdb Colchicine analog 1889
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Colchicine analog 1889
| |
| Systematic (IUPAC) name | |
| 2-ethoxy-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C24H29NO6S |
| Mol. mass | 459.55516 |
| 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
459.55516
*Exact Mass
459.171558
*Molecular Formula
C24H29NO6S
*IUPAC NAME
2-ethoxy-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
*Canonical Smiles
CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC
*Isomeric Smiles
CCOCC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC
*XLogP
2
*Hydrogen bond donor
1
*Hydrogen bond acceptor
6
*Rotational Bond Count
8
*Topological Polar Surface Area
83.1
