BIAdb 1-Demethyl-1-acetylcolchicine 1023

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BIAdb 1-Demethyl-1-acetylcolchicine 1023
Systematic (IUPAC) name
[(7S)-7-acetamido-2,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-1-yl] acetate
Identifiers
CAS number	?
ATC code	?
PubChem	329990
Chemical data
Formula	C23H25NO7
Mol. mass	427.4471
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

427.4471

*Exact Mass

427.163102

*Molecular Formula

C₂₃H₂₅NO₇

*IUPAC NAME

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

*Canonical Smiles

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

*Isomeric Smiles

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

*XLogP

0.8

*Hydrogen bond donor

1

*Hydrogen bond acceptor

7

*Rotational Bond Count

6

*Topological Polar Surface Area

100

[edit] External Links

• Pubchem

Link to BIAdb Database