BIAdb Colchicenamide 1847

BIAdb Colchicenamide 1847
Systematic (IUPAC) name
N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Identifiers
CAS number	?
ATC code	?
PubChem	18397
Chemical data
Formula	C₂₁H₂₄N₂O₅
Mol. mass	384.42566
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

DNA topoisomerase II antagonist

*Molecular Weight

384.42566

*Exact Mass

384.168522

*Molecular Formula

C₂₁H₂₄N₂O₅

*IUPAC NAME

N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide

*Canonical Smiles

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N)OC)OC)OC

*Isomeric Smiles

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N)OC)OC)OC

*XLogP

0.3

*Hydrogen bond donor

2

*Hydrogen bond acceptor

6

*Rotational Bond Count

4

*Topological Polar Surface Area

99.9