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17834-02-5,MFCD00272665
Catalog No.:AA0025W9

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

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Purity
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1mg
≥98%
in stock  
$128.00   $89.00
- +
5mg
≥98%
in stock  
$463.00   $324.00
- +
10mg
≥98%
in stock  
$792.00   $554.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
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
Computed Properties
 
Complexity:
532  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.3  

Literature

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 sciences 20150101

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

Journal: British journal of clinical pharmacology 20120101

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

Journal: The Journal of pharmacology and experimental therapeutics 20120101

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

Journal: Chemical research in toxicology 20100517

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

Journal: Chemical research in toxicology 20090701

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 chemicals 20081101

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

Journal: Bioorganic & medicinal chemistry 20070315

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 sciences 20050425

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SDS
Tags:17834-02-5 Molecular Formula|17834-02-5 MDL|17834-02-5 SMILES|17834-02-5 2H-1-Benzopyran-2-one, 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)-