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Substance Name: Methyl-4-phenylmandelic acid
RN: 6244-54-8
InChIKey: WBOKEHVGWRVHHZ-UHFFFAOYSA-N

Note

  • Metabolite of 4-isopropylbiphenyl responsible for nephrotoxicity.

Molecular Formula

  • C15-H14-O3

Molecular Weight

  • 242.273
 
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Names and Synonyms

Name of Substance

  • Methyl-4-phenylmandelic acid

Synonyms

  • 3-10-00-01200 (Beilstein Handbook Reference)
  • alpha-Methyl-4-phenylmandelic acid
  • BRN 2649668

Systematic Name

  • Mandelic acid, alpha-methyl-4-phenyl-

Registry Numbers

CAS Registry Number

  • 6244-54-8

System Generated Number

  • 0006244548

Structure Descriptors

InChI

1S/C15H14O3/c1-15(17,12-8-4-2-5-9-12)14(16)18-13-10-6-3-7-11-13/h2-11,17H,1H3

InChIKey

WBOKEHVGWRVHHZ-UHFFFAOYSA-N

Smiles

c1([C@@](C(Oc2ccccc2)=O)(C)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 450mg/kg (450mg/kg)   Toxicology and Applied Pharmacology. Vol. 25, Pg. 493, 1973.