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71595-19-2,MFCD28899111
Catalog No.:AA00FDT3

71595-19-2 | tolmetin glucuronide

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1mg
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$346.00   $242.00
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00FDT3
Chemical Name:
tolmetin glucuronide
CAS Number:
71595-19-2
Molecular Formula:
C21H23NO9
Molecular Weight:
433.4086
MDL Number:
MFCD28899111
SMILES:
O=C(Cc1ccc(n1C)C(=O)c1ccc(cc1)C)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O
Properties
Computed Properties
 
Complexity:
678  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
7  
XLogP3:
0.6  

Literature

Title: Toxicological evaluation of acyl glucuronides utilizing half-lives, peptide adducts, and immunostimulation assays.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20151225

Title: Evaluation and mechanistic analysis of the cytotoxicity of the acyl glucuronide of nonsteroidal anti-inflammatory drugs.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20140101

Title: Glycerolysis of acyl glucuronides as an artifact of in vitro drug metabolism incubations.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20090801

Title: Kinetic studies on the intramolecular acyl migration of beta-1-O-acyl glucuronides: application to the glucuronides of (R)- and (S)-ketoprofen, (R)- and (S)-hydroxy-ketoprofen metabolites, and tolmetin by 1H-NMR spectroscopy.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20050701

Title: Mechanisms for covalent binding of benoxaprofen glucuronide to human serum albumin. Studies By tandem mass spectrometry.

Journal: Drug metabolism and disposition: the biological fate of chemicals 19980301

Title: Reversible binding of tolmetin, zomepirac, and their glucuronide conjugates to human serum albumin and plasma.

Journal: Journal of pharmacokinetics and biopharmaceutics 19940201

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