Mefenamic acid glucuronide

Base Information

• Chemical Name: Mefenamic acid glucuronide
• CAS No.: 102623-18-7
• Molecular Formula: C21H23 N O8
• Molecular Weight: 417.41
• Hs Code.: 2938909090
• UNII: OX5H10G1RG
• DSSTox Substance ID: DTXSID90907958
• Nikkaji Number: J553.003B
• Wikidata: Q27285900
• ChEMBL ID: CHEMBL3527501
• Mol file: 102623-18-7.mol

Synonyms:1-O-(2-(2,3-dimethylphenyl)aminobenzoyl)glucopyranuronic acid;mefenamic acid 1-O-acylglucuronide;mefenamic acid glucuronide

Chemical Property of Mefenamic acid glucuronide

Chemical Property:

• Vapor Pressure: 1.43E-18mmHg at 25°C
• Melting Point: 110-112°C
• Boiling Point: 664.6°Cat760mmHg
• Flash Point: 355.8°C
• PSA: 145.55000
• Density: 1.47g/cm³
• LogP: 1.16900
• Storage Temp.: Amber Vial, -20°C Freezer
• Solubility.: Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 417.14236669
• Heavy Atom Count: 30
• Complexity: 616

Purity/Quality:

97% ^*data from raw suppliers

MefenamicAcyl-β-D-glucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C
• Isomeric SMILES: CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C
• Uses: Mefenamic acid metabolite Mefenamic acid metabolite.