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Substance Name: 4-Chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol
RN: 129586-32-9
InChIKey: WRGKWWRFSUGDPX-UHFFFAOYSA-N

Note

  • Sterol biosynthesis inhibitor; inhibits the conversion of lanosterol to desmosterol & dihydrolanosterol to cholesterol indicating that the site of action is the inhibition of the 14 alpha-methyl demethylase activity.

Molecular Formula

  • C15-H18-Cl-N3-O

Molecular Weight

  • 291.78
 
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Names and Synonyms

Name of Substance

  • 4-Chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol

Synonyms

  • 4-Chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol
  • cis-(+-)-1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanol
  • Ssf-109

Systematic Name

  • Cycloheptanol, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-, cis-(+-)-

Registry Numbers

CAS Registry Number

  • 129586-32-9

System Generated Number

  • 0129586329

Structure Descriptors

InChI

1S/C15H18ClN3O/c16-13-7-5-12(6-8-13)15(20)9-3-1-2-4-14(15)19-11-17-10-18-19/h5-8,10-11,14,20H,1-4,9H2

InChIKey

WRGKWWRFSUGDPX-UHFFFAOYSA-N

Smiles

c1([C@@]2([C@@H](CCCCC2)n2ncnc2)O)ccc(Cl)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.02 (none)   EXP
Water Solubility 125 mg/L 25 EXP
Vapor Pressure 5.08E-09 mm Hg 25 EST
Henry's Law Constant 1.72E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.10E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.