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

[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

Link to BIAdb Database

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