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Substance Name: 2-Toluic acid glucuronide
RN: 74389-92-7
InChIKey: WZYNSYXZYYCDLC-JVWRJRKNSA-N

Note

  • Major metabolite of o-xylene in urine.

Molecular Weight

  • 312.272
 
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Names and Synonyms

Name of Substance

  • 2-Toluic acid glucuronide

Synonyms

  • 2-Methylbenzoic acid glucuronide
  • o-Toluic acid glucuronide

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-(2-methylbenzoate)

Registry Numbers

CAS Registry Number

  • 74389-92-7

System Generated Number

  • 0074389927

Structure Descriptors

InChI

1S/C14H16O8/c1-6-4-2-3-5-7(6)13(20)22-14-10(17)8(15)9(16)11(21-14)12(18)19/h2-5,8-11,14-17H,1H3,(H,18,19)/t8-,9-,10+,11-,14-/m0/s1

InChIKey

WZYNSYXZYYCDLC-JVWRJRKNSA-N

Smiles

O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C(=O)O)OC(c1c(cccc1)C)=O