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

CAS Registry Number®

102623-18-7

CAS Name

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

Molecular Formula

C21H23NO8

Molecular Mass

417.41

Cite this Page

β-D-Glucopyranuronic acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=102623-18-7 (retrieved 2024-11-22) (CAS RN: 102623-18-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H23NO8/c1-10-6-5-9-13(11(10)2)22-14-8-4-3-7-12(14)20(28)30-21-17(25)15(23)16(24)18(29-21)19(26)27/h3-9,15-18,21-25H,1-2H3,(H,26,27)/t15-,16-,17+,18-,21-/m0/s1

InChIKey

InChIKey=DAHIGOGKMFBIOR-CURYNPBISA-N

SMILES

N(C1=C(C(O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)=O)C=CC=C1)C3=C(C)C(C)=CC=C3

Canonical SMILES

O=C(O)C1OC(OC(=O)C=2C=CC=CC2NC3=CC=CC(=C3C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranuronic acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]
  • Mefenamic acid glucuronide

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