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

CAS Registry Number®

75871-31-7

CAS Name

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

Molecular Formula

C21H22ClNO9

Molecular Mass

467.85

Cite this Page

β-D-Glucopyranuronic acid, 1-[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75871-31-7 (retrieved 2024-11-24) (CAS RN: 75871-31-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H22ClNO9/c1-9-7-12(23(2)14(9)15(25)10-3-5-11(22)6-4-10)8-13(24)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h3-7,16-19,21,26-28H,8H2,1-2H3,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1

InChIKey

InChIKey=FNGKIZYZSHHXJZ-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)=CC1C)C3=CC=C(Cl)C=C3

Canonical SMILES

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

Other Names for this Substance

  • β-D-Glucopyranuronic acid, 1-[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate]
  • Zomepirac glucuronide

Deleted or Replaced CAS Registry Numbers

81213-58-3, 870475-54-0

CAS INSIGHTSTM
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