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Substance Name: Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester
RN: 100532-46-5
InChIKey: GOBXATJYRZJYRP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-O2

Molecular Weight

  • 208.299
 
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Names and Synonyms

Synonym

  • Cyclohexanemethanol, alpha-ethynyl-, butyrate

Systematic Name

  • Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester

Registry Numbers

CAS Registry Number

  • 100532-46-5

System Generated Number

  • 0100532465

Structure Descriptors

InChI

1S/C13H20O2/c1-3-8-13(14)15-12(4-2)11-9-6-5-7-10-11/h2,11-12H,3,5-10H2,1H3

InChIKey

GOBXATJYRZJYRP-UHFFFAOYSA-N

Smiles

C1([C@@H](OC(CCC)=O)C#C)CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1950mg/kg (1950mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.