17834-04-7,MFCD00272667
Catalog No.:AA0025W7

17834-04-7 | 2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
2 weeks  
$1,960.00   $1,372.00
- +
25mg
2 weeks  
$4,470.00   $3,129.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0025W7
Chemical Name:
2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)-
CAS Number:
17834-04-7
Molecular Formula:
C19H16O5
Molecular Weight:
324.3273
MDL Number:
MFCD00272667
SMILES:
CC(=O)CC(c1c(=O)oc2c(c1O)cccc2O)c1ccccc1
Properties
Properties
 
Form:
Solid  
MP:
190-192°C (dec.)  
Storage:
-20 ℃;  

Computed 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

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: Responsiveness to low-dose warfarin associated with genetic variants of VKORC1, CYP2C9, CYP2C19, and CYP4F2 in an Indonesian population.

Journal: European journal of clinical pharmacology 20130301

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: Prediction of human disposition toward S-3H-warfarin using chimeric mice with humanized liver.

Journal: Drug metabolism and pharmacokinetics 20090101

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

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SDS
Tags:17834-04-7 Molecular Formula|17834-04-7 MDL|17834-04-7 SMILES|17834-04-7 2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)-
Catalog No.: AA0025W7
17834-04-7,MFCD00272667
17834-04-7 | 2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)-
Pack Size: 5mg
Purity:
2 weeks
$1,960.00 $1,372.00
Pack Size: 25mg
Purity:
2 weeks
$4,470.00 $3,129.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0025W7
Chemical Name: 2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)-
CAS Number: 17834-04-7
Molecular Formula: C19H16O5
Molecular Weight: 324.3273
MDL Number: MFCD00272667
SMILES: CC(=O)CC(c1c(=O)oc2c(c1O)cccc2O)c1ccccc1
Properties
Form: Solid  
MP: 190-192°C (dec.)  
Storage: -20 ℃;  
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: Responsiveness to low-dose warfarin associated with genetic variants of VKORC1, CYP2C9, CYP2C19, and CYP4F2 in an Indonesian population.

Journal: European journal of clinical pharmacology20130301

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: Prediction of human disposition toward S-3H-warfarin using chimeric mice with humanized liver.

Journal: Drug metabolism and pharmacokinetics20090101

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

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