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Substance Name: 1-Cyclohexe-1-acetic acid, 4-cyclohexyl-alpha,alpha-dimethyl-
RN: 28673-57-6
InChIKey: OJNQXRQCOHSFHG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-O2

Molecular Weight

  • 250.379
 
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Names and Synonyms

Synonyms

  • 4-Cyclohexyl-alpha,alpha-dimethyl-1-cyclohexe-1-acetic acid
  • Acide alpha-(cyclohexyl-4 cyclohexen-1 yl) isobutyrique
  • Acide alpha-(cyclohexyl-4 cyclohexen-1 yl) isobutyrique [French]
  • Propanoic acid, 2-(4-cyclohexyl-1-cyclohexen-1-yl)-2-methyl-

Systematic Name

  • 1-Cyclohexe-1-acetic acid, 4-cyclohexyl-alpha,alpha-dimethyl-

Registry Numbers

CAS Registry Number

  • 28673-57-6

System Generated Number

  • 0028673576

Structure Descriptors

InChI

1S/C16H26O2/c1-16(2,15(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h10,12-13H,3-9,11H2,1-2H3,(H,17,18)

InChIKey

OJNQXRQCOHSFHG-UHFFFAOYSA-N

Smiles

C1(=CC[C@@H](CC1)C1CCCCC1)C(C(=O)O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Belgian Patent Document. Vol. #740469,
mouse LD50 oral > 750mg/kg (750mg/kg)   Belgian Patent Document. Vol. #740469,