Name: Name:2H-1-Benzopyran-2-one, 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)-
Brand: AABLOCKS
SKU: AA0025W9
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA0025W9

Chemical Name: 2H-1-Benzopyran-2-one, 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)-

CAS Number: 17834-02-5

Molecular Formula: C19H16O5

Molecular Weight: 324.3273

MDL Number: MFCD00272665

SMILES: CC(=O)CC(c1c(=O)oc2c(c1O)cc(cc2)O)c1ccccc1

Properties

Complexity: 532

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 24

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: 2.3

Literature fold

Title: Warfarin is an effective modifier of multiple UDP-glucuronosyltransferase enzymes: evaluation of its potential to alter the pharmacokinetics of zidovudine.

Journal: Journal of pharmaceutical sciences20150101

Title: The population pharmacokinetics of R- and S-warfarin: effect of genetic and clinical factors.

Journal: British journal of clinical pharmacology20120101

Title: Analysis of R- and S-hydroxywarfarin glucuronidation catalyzed by human liver microsomes and recombinant UDP-glucuronosyltransferases.

Journal: The Journal of pharmacology and experimental therapeutics20120101

Title: Hydroxywarfarin metabolites potently inhibit CYP2C9 metabolism of S-warfarin.

Journal: Chemical research in toxicology20100517

Title: Assessing cytochrome P450 and UDP-glucuronosyltransferase contributions to warfarin metabolism in humans.

Journal: Chemical research in toxicology20090701

Title: Identification of hydroxywarfarin binding site in human UDP glucuronosyltransferase 1a10: phenylalanine90 is crucial for the glucuronidation of 6- and 7-hydroxywarfarin but not 8-hydroxywarfarin.

Journal: Drug metabolism and disposition: the biological fate of chemicals20081101

Title: Synthesis and structure-activity relationships of novel warfarin derivatives.

Journal: Bioorganic & medicinal chemistry20070315

Title: Determination of warfarin enantiomers and hydroxylated metabolites in human blood plasma by liquid chromatography with achiral and chiral separation.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences20050425

17834-02-5 | 2H-1-Benzopyran-2-one, 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)-