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Substance Name: 1-Cyclohexene-1-acetic acid, alpha-methyl-4-(1-methylcyclohexyl)-
RN: 28745-04-2
InChIKey: GXIUHWXMPMLDHG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-O2

Molecular Weight

  • 250.379
 
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Names and Synonyms

Synonyms

  • Acide alpha-(methyl-1 cyclohexyl-4 cyclohexen-1 yl) propionique
  • Acide alpha-(methyl-1 cyclohexyl-4 cyclohexen-1 yl) propionique [French]
  • alpha-Methyl-4-(1-methylcyclohexyl)-1-cyclohexene-1-acetic acid
  • Propanoic acid, 2-(4-(1-methylcyclohexyl)-1-cyclohexen-1-yl)-

Systematic Name

  • 1-Cyclohexene-1-acetic acid, alpha-methyl-4-(1-methylcyclohexyl)-

Registry Numbers

CAS Registry Number

  • 28745-04-2

System Generated Number

  • 0028745042

Structure Descriptors

InChI

1S/C16H26O2/c1-12(15(17)18)13-6-8-14(9-7-13)16(2)10-4-3-5-11-16/h6,12,14H,3-5,7-11H2,1-2H3,(H,17,18)

InChIKey

GXIUHWXMPMLDHG-UHFFFAOYSA-N

Smiles

C1(=CC[C@@H](CC1)C1(CCCCC1)C)[C@@H](C(=O)O)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,