3-Methoxyacetaminophen glucuronide

CAS Registry Number®

52092-55-4

CAS Name

3-Methoxyacetaminophen glucuronide

Molecular Formula

C15H19NO9

Molecular Mass

357.31

Cite this Page

3-Methoxyacetaminophen glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52092-55-4 (retrieved 2025-01-03) (CAS RN: 52092-55-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H19NO9/c1-6(17)16-7-3-4-8(9(5-7)23-2)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h3-5,10-13,15,18-20H,1-2H3,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1

InChIKey

InChIKey=XLGYMPUDHJPLNR-DKBOKBLXSA-N

SMILES

O([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=C(OC)C=C(NC(C)=O)C=C2

Canonical SMILES

O=C(O)C1OC(OC2=CC=C(C=C2OC)NC(=O)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-(acetylamino)-2-methoxyphenyl
  • 4-(Acetylamino)-2-methoxyphenyl β-D-glucopyranosiduronic acid
  • N-Acetyl-3-methoxy-4-glucuronosidoaniline
  • 3-Methoxyparacetamol glucuronide
  • 3-Methoxyacetaminophen glucuronide

Deleted or Replaced CAS Registry Numbers

705296-56-6

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