BIAdb N-Benzoyl-deacetylcolchicine 2748

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BIAdb N-Benzoyl-deacetylcolchicine 2748
Systematic (IUPAC) name
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]benzamide
Identifiers
CAS number  ?
ATC code  ?
PubChem 46151
Chemical data
Formula C27H27NO6
Mol. mass 461.50638
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

461.50638

*Exact Mass

461.183838

*Molecular Formula

C27H27NO6

*IUPAC NAME

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

*Canonical Smiles

COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=CC=C4

*Isomeric Smiles

COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=CC=C4

*XLogP

2.7

*Hydrogen bond donor

1

*Hydrogen bond acceptor

6

*Rotational Bond Count

6

*Topological Polar Surface Area

83.1

[edit] External Links

Link to BIAdb Database

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