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Substance Name: Butyric acid, 3-methyl-4-phenyl-
RN: 7315-68-6
InChIKey: CJBVVZBGGFKPDA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Synonyms

  • 3-Methyl-4-phenyl-butyric acid
  • 4-09-00-01870 (Beilstein Handbook Reference)
  • BRN 1948186

Systematic Name

  • Butyric acid, 3-methyl-4-phenyl-

Registry Numbers

CAS Registry Number

  • 7315-68-6

System Generated Number

  • 0007315686

Structure Descriptors

InChI

1S/C11H14O2/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)

InChIKey

CJBVVZBGGFKPDA-UHFFFAOYSA-N

Smiles

c1(C[C@@H](CC(O)=O)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 680mg/kg (680mg/kg)   Farmaco, Edizione Scientifica. Vol. 16, Pg. 23, 1961.