β-D-Glucopyranuronic acid, 1-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate]

CAS Registry Number®

71595-19-2

CAS Name

β-D-Glucopyranuronic acid, 1-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate]

Molecular Formula

C21H23NO9

Molecular Mass

433.41

Cite this Page

β-D-Glucopyranuronic acid, 1-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71595-19-2 (retrieved 2024-11-21) (CAS RN: 71595-19-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H23NO9/c1-10-3-5-11(6-4-10)15(24)13-8-7-12(22(13)2)9-14(23)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h3-8,16-19,21,25-27H,9H2,1-2H3,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

InChIKey

InChIKey=MEFIGCPEYJZFFC-ZFORQUDYSA-N

SMILES

C(=O)(C=1N(C)C(CC(O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)=O)=CC1)C3=CC=C(C)C=C3

Canonical SMILES

O=C(O)C1OC(OC(=O)CC2=CC=C(C(=O)C3=CC=C(C=C3)C)N2C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranuronic acid, 1-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate]
  • Tolmetin glucuronide

CAS INSIGHTSTM
Targeted protein degrader structure, illustration