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Substance Name: Heptanoic acid, 3,6-dimethyl-3-phenyl-
RN: 101913-71-7
InChIKey: YIHLJIOCTULOLG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-O2

Molecular Weight

  • 234.337
 
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Names and Synonyms

Synonyms

  • 3,6-Dimethyl-3-phenylheptanoic acid
  • Hydrocinnamic acid, beta-isopentyl-beta-methyl-

Systematic Name

  • Heptanoic acid, 3,6-dimethyl-3-phenyl-

Registry Numbers

CAS Registry Number

  • 101913-71-7

System Generated Number

  • 0101913717

Structure Descriptors

InChI

1S/C15H22O2/c1-12(2)9-10-15(3,11-14(16)17)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,16,17)

InChIKey

YIHLJIOCTULOLG-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 370mg/kg (370mg/kg)   Farmaco, Edizione Scientifica. Vol. 16, Pg. 23, 1961.