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Substance Name: 3-Thiomethylparacetamol glucuronide
RN: 78180-86-6
UNII: 57DZD477I1
InChIKey: HMZJUIVYCLFXAK-DKBOKBLXSA-N

Note

  • Urinary metabolite of acetaminophen.

Molecular Weight

  • 373.38
 
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Names and Synonyms

Name of Substance

  • 3-Thiomethylparacetamol glucuronide

Synonyms

  • 3-Thiomethylacetaminophen glucuronide
  • 3-Tmag
  • UNII-57DZD477I1

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 4-(acetylamino)-2-(methylthio)phenyl

Registry Numbers

CAS Registry Number

  • 78180-86-6

FDA UNII

  • 57DZD477I1

System Generated Number

  • 0078180866

Structure Descriptors

InChI

1S/C15H19NO8S/c1-6(17)16-7-3-4-8(9(5-7)25-2)23-15-12(20)10(18)11(19)13(24-15)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

HMZJUIVYCLFXAK-DKBOKBLXSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)c1c(cc(cc1)NC(=O)C)SC