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Substance Name: 3,4-Dimethylhippuric acid
RN: 23082-12-4
InChIKey: ZDHXVMSVUHHHAE-UHFFFAOYSA-N

Note

  • Metabolite of pseudocumene in urine.

Molecular Formula

  • C11-H13-N-O3

Molecular Weight

  • 207.228
 
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Names and Synonyms

Name of Substance

  • 3,4-Dimethylhippuric acid

Systematic Name

  • Glycine, N-(3,4-dimethylbenzoyl)-

Registry Numbers

CAS Registry Number

  • 23082-12-4

System Generated Number

  • 0023082124

Structure Descriptors

InChI

1S/C11H13NO3/c1-7-3-4-9(5-8(7)2)11(15)12-6-10(13)14/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)

InChIKey

ZDHXVMSVUHHHAE-UHFFFAOYSA-N

Smiles

C(CNC(=O)c1cc(c(cc1)C)C)(=O)O