Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Chlorcyclohexamide
RN: 963-03-1
UNII: S5SZ3347W1
InChIKey: TYZHJGCYLYXPSB-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C13-H17-Cl-N2-O3-S

Molecular Weight

  • 316.8073
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Chlorcyclohexamide

Name of Substance

  • Chlorohexamide

Synonyms

  • 1-((p-Chlorophenyl)sulfonyl)-3-cyclohexylurea
  • 4-12-00-00056 (Beilstein Handbook Reference)
  • Benzenesulfonamide, 4-chloro-N-((cyclohexylamino)carbonyl)-
  • BRN 2221686
  • Chlorcyclohexamide
  • Chlorhexamide
  • Chlorocyclamide-R
  • K 694
  • Oradian
  • UNII-S5SZ3347W1

Systematic Names

  • Chlorobenzenesulfonylcyclohexylcarbamide
  • Urea, 1-((p-chlorophenyl)sulfonyl)-3-cyclohexyl-

Registry Numbers

CAS Registry Number

  • 963-03-1

FDA UNII

  • S5SZ3347W1

System Generated Number

  • 0000963031

Structure Descriptors

InChI

1S/C13H17ClN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)

InChIKey

TYZHJGCYLYXPSB-UHFFFAOYSA-N

Smiles

c1cc(ccc1S(=O)(=O)NC(=O)NC2CCCCC2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1525mg/kg (1525mg/kg)   Farmakologiya i Toksikologiya Vol. 25, Pg. 93, 1962.
rat LD50 oral 1525mg/kg (1525mg/kg)   Farmakologiya i Toksikologiya Vol. 25, Pg. 93, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.38 (none)   EXP
Water Solubility 12.7 mg/L 25 EST
Vapor Pressure 2.31E-09 mm Hg 25 EST
Henry's Law Constant 1.32E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.14E-11 cm3/molecule-sec 25 EST

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