CAS No.35944-74-2,METOMIDATEHYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35944-74-2
Name:	METOMIDATEHYDROCHLORIDE

Formula:	C13H14 N2 O2 . Cl H
Molecular Weight:	266.727
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;
Density:	1.13g/cm³
Melting Point:	173-174 °C
Boiling Point:	379.4°Cat760mmHg
Flash Point:	183.2°C
Safety:	Poison by ingestion and intravenous routes. When heated to decomposition it emits very toxic fumes of NO_x and HCl.
PSA:	44.12000
LogP:	3.08100

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Chemistry

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

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.

Safety Profile

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

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 .