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Substance Name: Carfimate [INN]
RN: 3567-38-2
UNII: X9N1XKR2OS
InChIKey: MTTYXGPMZKRTCI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H9-N-O2

Molecular Weight

  • 175.1861
 
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Names and Synonyms

Name of Substance

  • Carfimate [INN]

Synonyms

  • 1-Phenyl-2-propynyl carbamate
  • 4-06-00-04067 (Beilstein Handbook Reference)
  • alpha-Ethynylbenzenemethanol carbamate
  • alpha-Ethynylbenzyl carbamate
  • BRN 3200625
  • Carbamic acid, 1-phenyl-2-propynyl ester
  • Carbammato di feniletinilcarbinolo
  • Carbammato di feniletinilcarbinolo [Italian]
  • Carfimat
  • Carfimate
  • Carfimato
  • Carfimato [INN-Spanish]
  • Carfimatum
  • Carfimatum [INN-Latin]
  • Equilium
  • Nirvotin
  • Phenylethynylcarbinol carbamate
  • UNII-X9N1XKR2OS

Systematic Names

  • 1-Phenyl-2-propynyl carbamate
  • Benzenemethanol, alpha-ethynyl-, carbamate (9CI)
  • Benzyl alcohol, alpha-ethynyl-, carbamate

Registry Numbers

CAS Registry Number

  • 3567-38-2

FDA UNII

  • X9N1XKR2OS

System Generated Number

  • 0003567382

Structure Descriptors

InChI

1S/C10H9NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h1,3-7,9H,(H2,11,12)

InChIKey

MTTYXGPMZKRTCI-UHFFFAOYSA-N

Smiles

C#CC(c1ccccc1)OC(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 99, Pg. 245, 1954.
mouse LD50 unreported 250mg/kg (250mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 6, Pg. 136, 1956.
rat LD50 intraperitoneal 150mg/kg (150mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 99, Pg. 245, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 86.5 deg C   EXP
log P (octanol-water) 1.59 (none)   EXP
Water Solubility 2550 mg/L 25 EST
Vapor Pressure 2.71E-03 mm Hg 25 EST
Henry's Law Constant 6.97E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.36E-11 cm3/molecule-sec 25 EST

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