BIAdb Colchicine derivative 1892
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Colchicine derivative 1892
| |
| Systematic (IUPAC) name | |
| 2,2,2-trifluoro-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H20F3NO6 |
| Mol. mass | 439.38181 |
| 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
439.38181
*Exact Mass
439.124272
*Molecular Formula
C21H20F3NO6
*IUPAC NAME
2,2,2-trifluoro-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
*Canonical Smiles
COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)O)OC)NC(=O)C(F)(F)F
*Isomeric Smiles
COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)O)OC)NC(=O)C(F)(F)F
*XLogP
1.7
*Hydrogen bond donor
2
*Hydrogen bond acceptor
9
*Rotational Bond Count
4
*Topological Polar Surface Area
94.1
