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Substance Name: Hexapropymate [INN:BAN:DCF]
RN: 358-52-1
UNII: 0J9RN2PRJ7
InChIKey: MIRHIEAGDGUXKL-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data

Molecular Formula

  • C10-H15-N-O2

Molecular Weight

  • 181.2335
 
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Names and Synonyms

Name of Substance

  • Hexapropymate
  • Hexapropymate [INN:BAN:DCF]

Synonyms

  • 1-(2-Propynyl)-1-cyclohexanol carbamate
  • 1-(2-Propynyl)cyclohexanol carbamate
  • 1-(2-Propynyl)cyclohexyl carbamate
  • 1-Carbamoyloxy-1-(2-propynyl)cyclohexane
  • 4-06-00-00362 (Beilstein Handbook Reference)
  • BRN 3253991
  • Carbamate du propinylcyclohexanol
  • Carbamate du propinylcyclohexanol [French]
  • Carbamic acid, 1-(2-propynyl)cyclohexyl ester
  • Cyclohexanol, 1-(2-propynyl)-, carbamate
  • EINECS 206-618-9
  • Esapropimato
  • Hexapropimato
  • Hexapropimato [INN-Spanish]
  • Hexapropymate
  • Hexapropymatum
  • Hexapropymatum [INN-Latin]
  • Hexopropynate
  • L 2103
  • L-2103
  • LF 62
  • Lunamin
  • Merinax
  • Modirax
  • NSC 169094
  • Propynylcyclohexanol carbamate
  • UNII-0J9RN2PRJ7

Systematic Names

  • 1-(2-Propynyl)cyclohexanol carbamate
  • Carbamic acid, 1-(2-propynyl)cyclohexyl ester
  • Cyclohexanol, 1-(2-propynyl)-, carbamate (8CI)(9CI)
  • Hexapropymate

Registry Numbers

CAS Registry Number

  • 358-52-1

FDA UNII

  • 0J9RN2PRJ7

System Generated Number

  • 0000358521

Structure Descriptors

InChI

1S/C10H15NO2/c1-2-6-10(13-9(11)12)7-4-3-5-8-10/h1H,3-8H2,(H2,11,12)

InChIKey

MIRHIEAGDGUXKL-UHFFFAOYSA-N

Smiles

C#CCC1(CCCCC1)OC(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 228mg/kg (228mg/kg)   British Medical Journal. Vol. 1, Pg. 1593, 1978.
human TDLo oral 228mg/kg (228mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

BEHAVIORAL: GENERAL ANESTHETIC
British Medical Journal. Vol. 1, Pg. 1593, 1978.
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 414, 1972.
mouse LD50 oral 900mg/kg (900mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 414, 1972.
women TDLo oral 286mg/kg/36H- (286mg/kg) BEHAVIORAL: COMA

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Medical Toxicology and Adverse Drug Experience. Vol. 4, Pg. 295, 1989.
women TDLo oral 800mg/kg (800mg/kg)   Medical Toxicology and Adverse Drug Experience. Vol. 4, Pg. 295, 1989.
women TDLo oral 800mg/kg (800mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: COMA
Medical Toxicology and Adverse Drug Experience. Vol. 4, Pg. 295, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 99 deg C   EXP
log P (octanol-water) 2.420 (none)   EST
Atmospheric OH Rate Constant 1.79E-11 cm3/molecule-sec 25 EST

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