Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 1-cyclohexyl-2-propyn-1-yl ester
RN: 100311-32-8
InChIKey: GYYQUBPJPUOQKZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-O2

Molecular Weight

  • 242.316
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 4-09-00-00301 (Beilstein Handbook Reference)
  • BRN 3294788
  • Cyclohexanemethanol, alpha-ethynyl-, benzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100311-32-8

System Generated Number

  • 0100311328

Structure Descriptors

InChI

1S/C16H18O2/c1-2-15(13-9-5-3-6-10-13)18-16(17)14-11-7-4-8-12-14/h1,4,7-8,11-13,15H,3,5-6,9-10H2

InChIKey

GYYQUBPJPUOQKZ-UHFFFAOYSA-N

Smiles

C1([C@@H](OC(c2ccccc2)=O)C#C)CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4100mg/kg (4100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.