CAS 1233196-92-3

2-[1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl β-D-glucopyranosiduronic acid

Description:

The chemical substance known as "2-[1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl β-D-glucopyranosiduronic acid" with the CAS number 1233196-92-3 is a complex organic compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features multiple functional groups, including a carboxylic acid and a hydroxyl group, contributing to its potential solubility and reactivity in various chemical environments. The presence of the β-D-glucopyranosiduronic acid moiety suggests that it may exhibit biological activity, possibly interacting with biological systems or serving as a ligand in biochemical applications. Its structural complexity indicates potential applications in pharmaceuticals, particularly in drug design or as a biochemical probe. The compound's properties, such as solubility, stability, and reactivity, would be influenced by its molecular structure and the arrangement of functional groups, making it a subject of interest for further research in medicinal chemistry and related fields.

Formula: C₂₇H₂₃N₃O₁₀

InChI: InChI=1S/C27H23N3O10/c31-17-7-3-1-5-15(17)24-28-23(29-30(24)14-11-9-13(10-12-14)25(35)36)16-6-2-4-8-18(16)39-27-21(34)19(32)20(33)22(40-27)26(37)38/h1-12,19-22,27,31-34H,(H,35,36)(H,37,38)/t19-,20-,21+,22-,27+/m0/s1

InChI key: InChIKey=VZBGWWQXUJQLAJ-BMODKXSASA-N

SMILES: OC1=C(C=2N(N=C(N2)C3=C(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)C=CC=C3)C5=CC=C(C(O)=O)C=C5)C=CC=C1

Synonyms:

• β-D-Glucopyranosiduronic acid, 2-[1-(4-carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl
• 2-[1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl β-D-glucopyranosiduronic acid

Deferasirox 2-O-D-Glucuronide Disodium Salt

CAS: 1233196-92-3

Formula: C₂₇H₂₁N₃O₁₀·2Na

Molecular weight: 547.48 2*22.99

Ref: 4Z-D-2540

Deferasirox 2-Glucuronide

Controlled Product

CAS: 1233196-92-3

Formula: C₂₇H₂₃N₃O₁₀

Color and Shape: Neat

Molecular weight: 549.486

Ref: TR-D295555