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Substance Name: Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester
RN: 100836-83-7
InChIKey: YWVRFLPOLDGBCK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N-O2

Molecular Weight

  • 257.331
 
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Names and Synonyms

Synonyms

  • 1-Cyclohexyl-2-propyn-1-yl carbanilate
  • Cyclohexanemethanol, alpha-ethynyl-, carbanilate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100836-83-7

System Generated Number

  • 0100836837

Structure Descriptors

InChI

1S/C16H19NO2/c1-2-15(13-9-5-3-6-10-13)19-16(18)17-14-11-7-4-8-12-14/h1,4,7-8,11-13,15H,3,5-6,9-10H2,(H,17,18)

InChIKey

YWVRFLPOLDGBCK-UHFFFAOYSA-N

Smiles

C1([C@@H](OC(Nc2ccccc2)=O)C#C)CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.