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Substance Name: Cyclohexanemethanol, alpha-ethynyl-, acetate
RN: 16169-86-1
InChIKey: WRTQKWBSYQGIFV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-O2

Molecular Weight

  • 180.245
 
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Names and Synonyms

Synonyms

  • 1-Cyclohexyl-2-propyn-1-yl acetate
  • Acetic acid, 1-cyclohexyl-2-propyn-1-yl ester
  • alpha-Ethynylcyclohexanemethanol acetate
  • BRN 2521063

Systematic Name

  • Cyclohexanemethanol, alpha-ethynyl-, acetate

Registry Numbers

CAS Registry Number

  • 16169-86-1

System Generated Number

  • 0016169861

Structure Descriptors

InChI

1S/C11H16O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h1,10-11H,4-8H2,2H3

InChIKey

WRTQKWBSYQGIFV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1200mg/kg (1200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.