BIAdb Colchicine analog 1881

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BIAdb Colchicine analog 1881
Systematic (IUPAC) name
(7-acetamido-3-acetyloxy-1,10-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-2-yl) acetate
Identifiers
CAS number	?
ATC code	?
PubChem	356434
Chemical data
Formula	C₂₄H₂₅NO₈
Mol. mass	455.4572
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

455.4572

*Exact Mass

455.158017

*Molecular Formula

C₂₄H₂₅NO₈

*IUPAC NAME

(7-acetamido-3-acetyloxy-1,10-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-2-yl) acetate

*Canonical Smiles

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

*Isomeric Smiles

N/A

*XLogP

0.6

*Hydrogen bond donor

1

*Hydrogen bond acceptor

8

*Rotational Bond Count

7

*Topological Polar Surface Area

117