β-D-Glucopyranuronic acid, 1-[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate]
CAS Registry Number®
75871-31-7
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CAS Name
β-D-Glucopyranuronic acid, 1-[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate]Molecular Formula
C21H22ClNO9Molecular Mass
467.85Cite 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/ChemicalDetail.aspx?ref=75871-31-7 (retrieved ) (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
