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Home Amines 102623-18-7
102623-18-7,MFCD09840854
Catalog No.:AA0007W1

102623-18-7 | β-D-Glucopyranuronic acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]

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10mg
Min. 95% [HPLC-UVD]
2 weeks  
$2,197.00   $1,538.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0007W1
Chemical Name:
β-D-Glucopyranuronic acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]
CAS Number:
102623-18-7
Molecular Formula:
C21H23NO8
Molecular Weight:
417.4092
MDL Number:
MFCD09840854
SMILES:
OC(=O)C1O[C@H](OC(=O)c2ccccc2Nc2cccc(c2C)C)[C@@H]([C@@H]([C@H]1O)O)O
Properties
Computed Properties
 
Complexity:
616  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
6  
XLogP3:
2.7  

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: Metabolic activation of mefenamic acid leading to mefenamyl-S-acyl-glutathione adduct formation in vitro and in vivo in rat.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20120801

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

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SDS
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Tags:102623-18-7 Molecular Formula|102623-18-7 MDL|102623-18-7 SMILES|102623-18-7 β-D-Glucopyranuronic acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]