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Substance Name: 1-Cyclohexene-1-acetic acid, alpha,alpha-dimethyl-4-(2-methylpropyl)-, (+-)-
RN: 50765-35-0
InChIKey: LGUBLUSZVIGEIQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H24-O2

Molecular Weight

  • 224.3416
 
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Names and Synonyms

Synonyms

  • (+-)-alpha,alpha-Dimethyl-4-(2-methylpropyl)-1-cyclohexene-1-acetic acid
  • BRN 2448259

Systematic Name

  • 1-Cyclohexene-1-acetic acid, alpha,alpha-dimethyl-4-(2-methylpropyl)-, (+-)-

Registry Numbers

CAS Registry Number

  • 50765-35-0

System Generated Number

  • 0050765350

Structure Descriptors

InChI

1S/C14H24O2/c1-10(2)9-11-5-7-12(8-6-11)14(3,4)13(15)16/h7,10-11H,5-6,8-9H2,1-4H3,(H,15,16)

InChIKey

LGUBLUSZVIGEIQ-UHFFFAOYSA-N

Smiles

CC(C)CC1CCC(=CC1)C(C)(C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 710, 1973.