Product Name

  • Name

    METOMIDATEHYDROCHLORIDE

  • EINECS
  • CAS No. 35944-74-2
  • Density 1.13g/cm3
  • Solubility
  • Melting Point 173-174 °C
  • Formula C13H14 N2 O2 . Cl H
  • Boiling Point 379.4°Cat760mmHg
  • Molecular Weight 266.727
  • Flash Point 183.2°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 35944-74-2 (METOMIDATEHYDROCHLORIDE)
  • Hazard Symbols
  • Synonyms 1H-Imidazole-5-carboxylicacid, 1-(1-phenylethyl)-, methyl ester, monohydrochloride (9CI);Imidazole-5-carboxylic acid, 1-(a-methylbenzyl)-, methyl ester, hydrochloride (7CI);Metomidatehydrochloride;NSC 168403;
  • PSA 44.12000
  • LogP 3.08100

Metomidate hydrochloride Chemical Properties

Molecule structure of Metomidate hydrochloride (CAS NO.35944-74-2) :

IUPAC Name: methyl 3-(1-phenylethyl)imidazole-4-carboxylate hydrochloride 
Molecular Weight: 266.7234 g/mol
Molecular Formula: C13H15ClN2O2 
Density: 1.13 g/cm3 
Boiling Point: 379.4 °C at 760 mmHg 
Flash Point: 183.2 °C
Index of Refraction: 1.568
Molar Refractivity: 66.23 cm3
Molar Volume: 202.4 cm3
Polarizability: 26.25*10-24 cm3
Surface Tension: 40.4 dyne/cm 
Enthalpy of Vaporization: 62.74 kJ/mol
Vapour Pressure: 5.88E-06 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 266.082205
MonoIsotopic Mass: 266.082205
Topological Polar Surface Area: 44.1
Heavy Atom Count: 18
Complexity: 264
Canonical SMILES: CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OC.Cl
InChI: InChI=1S/C13H14N2O2.ClH/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2;/h3-10H,1-2H3;1H
InChIKey of Metomidate hydrochloride (CAS NO.35944-74-2) : NZEDTZKNEKPBGR-UHFFFAOYSA-N

Metomidate hydrochloride Toxicity Data With Reference

1.    

ivn-mus LD50:18 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#09250 .
2.    

orl-pgn LD50:42 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 21 (1972),315.
3.    

orl-dck LD50:133 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 21 (1972),315.
4.    

orl-bwd LD50:32 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 21 (1972),315.

Metomidate hydrochloride Safety Profile

Poison by ingestion and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.

Metomidate hydrochloride Specification

 Metomidate hydrochloride (CAS NO.35944-74-2) is also called 1-(1-Phenethyl)-imidazole-5-carboxylic acid, methyl ester,
hydrochloride ; Hypnodil hydrochloride ; Metomidat-hydrochloride ; NSC 168403 ; R-7315 ; 1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, methyl ester, monohydrochloride (9CI) ; Imidazole-5-carboxylic acid, 1-(alpha-methylbenzyl)-, methyl ester, hydrochloride .

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