Sulfamethoxazole N1-glucuronide

CAS Registry Number®

14365-52-7
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CAS Name

Sulfamethoxazole N1-glucuronide

Molecular Formula

C16H19N3O9S

Molecular Mass

429.40

Cite this Page

Sulfamethoxazole N1-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=14365-52-7 (retrieved 2024-05-06) (CAS RN: 14365-52-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H19N3O9S/c1-7-6-10(18-28-7)19(29(25,26)9-4-2-8(17)3-5-9)15-13(22)11(20)12(21)14(27-15)16(23)24/h2-6,11-15,20-22H,17H2,1H3,(H,23,24)/t11-,12-,13+,14-,15+/m0/s1

InChIKey

InChIKey=BLFOMTRQSZIMKK-SBJFKYEJSA-N

SMILES

N(S(=O)(=O)C1=CC=C(N)C=C1)([C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C=3C=C(C)ON3

Canonical SMILES

O=C(O)C1OC(N(C2=NOC(=C2)C)S(=O)(=O)C3=CC=C(N)C=C3)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranuronic acid, 1-[[(4-aminophenyl)sulfonyl](5-methyl-3-isoxazolyl)amino]-1-deoxy-
  • 1-[[(4-Aminophenyl)sulfonyl](5-methyl-3-isoxazolyl)amino]-1-deoxy-β-D-glucopyranuronic acid
  • Sulfisomezole N1-glucuronide
  • Sulfamethoxazole N1-glucuronide

Deleted or Replaced CAS Registry Numbers

35174-94-8, 81048-41-1

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