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Substance Name: Cyclohexanemethanol, alpha-(2-(1,3-benzodioxol-5-yl)ethenyl)- (9CI)
RN: 66596-52-9
InChIKey: FEBSUECCSVLRLO-SOFGYWHQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-O3

Molecular Weight

  • 260.331
 
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Names and Synonyms

Synonyms

  • 1-Cyclohexyl-3-(3,4-methylenedioxyphenyl)-2-propen-1-ol
  • BRN 1318303

Systematic Names

  • 2-Propen-1-ol, 1-cyclohexyl-3-(3,4-methylenedioxyphenyl)-
  • Cyclohexanemethanol, alpha-(2-(1,3-benzodioxol-5-yl)ethenyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 66596-52-9

System Generated Number

  • 0066596529

Structure Descriptors

InChI

1S/C16H20O3/c17-14(13-4-2-1-3-5-13)8-6-12-7-9-15-16(10-12)19-11-18-15/h6-10,13-14,17H,1-5,11H2/b8-6+

InChIKey

FEBSUECCSVLRLO-SOFGYWHQSA-N

Smiles

c1cc2c(cc1/C=C/C(C3CCCCC3)O)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.