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Substance Name: 2-Butyn-1-one, 4-(2-hydroxycyclohexyl)-1-phenyl-
RN: 77267-32-4
InChIKey: LEEWKEOOBIXYJS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-O2

Molecular Weight

  • 242.3162
 
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Names and Synonyms

Synonyms

  • 4-(2-Hydroxycyclohexyl)-1-phenyl-2-butyn-1-one
  • BRN 5007763

Systematic Name

  • 2-Butyn-1-one, 4-(2-hydroxycyclohexyl)-1-phenyl-

Registry Numbers

CAS Registry Number

  • 77267-32-4

System Generated Number

  • 0077267324

Structure Descriptors

InChI

1S/C16H18O2/c17-15-11-5-4-9-14(15)10-6-12-16(18)13-7-2-1-3-8-13/h1-3,7-8,14-15,17H,4-5,9-11H2

InChIKey

LEEWKEOOBIXYJS-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)C#CCC2CCCCC2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 103, 1981.