BIAdb Colchicine analog 1882
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Colchicine analog 1882
| |
| Systematic (IUPAC) name | |
| 3,4,5-trihydroxy-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)benzamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C24H21NO8S |
| Mol. mass | 483.49044 |
| 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
483.49044
*Exact Mass
483.098787
*Molecular Formula
C24H21NO8S
*IUPAC NAME
3,4,5-trihydroxy-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)benzamide
*Canonical Smiles
CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC(=C(C(=C4)O)O)O
*Isomeric Smiles
N/A
*XLogP
1.4
*Hydrogen bond donor
7
*Hydrogen bond acceptor
8
*Rotational Bond Count
3
*Topological Polar Surface Area
168
