Acetaminophen glucuronide

CAS Registry Number®

16110-10-4

CAS Name

Acetaminophen glucuronide

Molecular Formula

C14H17NO8

Molecular Mass

327.29

Cite this Page

Acetaminophen glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16110-10-4 (retrieved 2024-11-22) (CAS RN: 16110-10-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-198 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1

InChIKey

InChIKey=IPROLSVTVHAQLE-BYNIDDHOSA-N

SMILES

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

Canonical SMILES

O=C(O)C1OC(OC2=CC=C(C=C2)NC(=O)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-(acetylamino)phenyl
  • Glucopyranosiduronic acid, p-acetamidophenyl, β-D-
  • β-D-Glucopyranosiduronic acid, p-acetamidophenyl
  • β-D-Glucosiduronic acid, p-acetamidophenyl
  • 4-(Acetylamino)phenyl β-D-glucopyranosiduronic acid

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Deleted or Replaced CAS Registry Numbers

28473-00-9, 30113-43-0, 910899-98-8

CAS INSIGHTSTM
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