- Metomidate
- Metomidate hydrochloride
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| Name |
Metomidate |
EINECS | N/A |
| CAS No. | 5377-20-8 | Density | 1.13g/cm3 |
| PSA | 44.12000 | LogP | 2.27900 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H14 N2 O2 | Boiling Point | 379.4°Cat760mmHg |
| Molecular Weight | 230.266 | Flash Point | 183.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Imidazole-5-carboxylicacid, 1-(a-methylbenzyl)-, methyl ester(8CI); Aquacalm; Hypnodil; Methomidate; Methoxymol; Methoxymol R-7315; Methyl1-(a-methylbenzyl)imidazole-5-carboxylate;Metomidate; R 7315 |
Metomidate Chemical Properties
Molecule structure of Metomidate (CAS NO.5377-20-8) :
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IUPAC Name: methyl 3-(1-phenylethyl)imidazole-4-carboxylate
Molecular Weight: 230.26246 g/mol
Molecular Formula: C13H14N2O2
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
log P (octanol-water)： 2.570
Atmospheric OH Rate Constant: 1.85E-11 cm3/molecule-sec
XLogP3: 2.7
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 230.105528
MonoIsotopic Mass: 230.105528
Topological Polar Surface Area: 44.1
Heavy Atom Count: 17
Complexity: 264
Canonical SMILES: CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OC
InChI: InChI=1S/C13H14N2O2/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2/h3-10H,1-2H3
InChIKey: FHFZEKYDSVTYLL-UHFFFAOYSA-N
EINECS Metomidate (CAS NO.5377-20-8) : 226-368-4
Metomidate Toxicity Data With Reference
| 1. | orl-pgn LD50:56 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 21 (1972),315. | ||
| 2. | orl-dck LD50:56 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 21 (1972),315. | ||
| 3. | orl-brd LD50:32 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 21 (1972),315. |
Metomidate Safety Profile
Poison by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Metomidate Specification
Metomidate (CAS NO.5377-20-8) is also called 5-25-04-00085 (Beilstein Handbook Reference) ; BRN 0659586 ; Hypnodil ; Methoxymol ; Methoxymol R7315 ; Methyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate ; Metomidato ; Metomidato [INN-Spanish] ; Metomidatum ; Metomidatum [INN-Latin] ; R 7315 ; UNII-Z18ZYL8Y51 ; 1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, methyl ester (9CI) ; Imidazole-5-carboxylic acid, 1-(alpha-methylbenzyl)-, methyl ester ; Methyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate .
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