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Substance Name: 1-Cyclohexeneacetic acid, alpha-ethyl-4-isobutyl-, dl-
RN: 33844-78-9
InChIKey: DJYRKMZXPCJMMA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H24-O2

Molecular Weight

  • 224.342
 
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Names and Synonyms

Synonyms

  • BRN 2448219
  • Butyric acid, 2-(4-isobutylcyclohex-1-enyl)-, dl-
  • dl-alpha-(4-Isobutyl(cyclohexen-1-yl))butyric acid

Systematic Name

  • 1-Cyclohexeneacetic acid, alpha-ethyl-4-isobutyl-, dl-

Registry Numbers

CAS Registry Number

  • 33844-78-9

System Generated Number

  • 0033844789

Structure Descriptors

InChI

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

InChIKey

DJYRKMZXPCJMMA-UHFFFAOYSA-N

Smiles

C1(=CC[C@@H](CC1)CC(C)C)[C@@H](C(=O)O)CC

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.