BIAdb N-Trifluoroacetyldemecolcine 2836

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BIAdb N-Trifluoroacetyldemecolcine 2836
Systematic (IUPAC) name
2,2,2-trifluoro-N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Identifiers
CAS number	?
ATC code	?
PubChem	51292
Chemical data
Formula	C23H24F3NO6
Mol. mass	467.43497
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

Description

Source

N/A

Function

Unknown

General Properties

*Molecular Weight

467.43497

*Exact Mass

467.155572

*Molecular Formula

C₂₃H₂₄F₃NO₆

*IUPAC NAME

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

*Canonical Smiles

CN(C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC)C(=O)C(F)(F)F

*Isomeric Smiles

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

*XLogP

2.4

*Hydrogen bond donor

0

*Hydrogen bond acceptor

9

*Rotational Bond Count

5

*Topological Polar Surface Area

74.3

External Links

• Pubchem

Link to BIAdb Database