Basic information
- CAS
5377-20-8- Standard SMILES
COC(=O)c1cncn1C(C)c1ccccc1- InChIKey
FHFZEKYDSVTYLL-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Overview
Methomidate is a member of imidazoles.
Names & identifiers
- Preferred name
- Metomidate
- IUPAC
- methyl 3-(1-phenylethyl)imidazole-4-carboxylate
- English name
- metomidate
- Molecular formula
- C13H14N2O2
- Molecular weight
- 230.26
Names & synonyms
Metomidate5377-20-8MethoxymolAquacalmMetomidatoMetomidatum1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, methyl esterZ18ZYL8Y51R-7315Methyl 1-(alpha-methylbenzyl)imidazole-5-carboxylateDTXSID1048411methoximol
Show more names
EM-01MethoxyMol R-7315Etomidate impurity B CRSMetomidate in acetonitrile
RefChem:56432DTXCID9028384226-368-4Methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylatemethyl 3-(1-phenylethyl)imidazole-4-carboxylateHypnodilMetomidate (INN)Methomidate
Database identifiers
- CAS
5377-20-8- PubChem CID
- 21474
- DTXSID
DTXSID1048411- ChEMBL
CHEMBL494039- ChEBI
CHEBI:188672- UNII
- Z18ZYL8Y51
- EC Number
- 226-368-4
- Nikkaji
- J7.978B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
LogP2.28
Physicochemical properties
- Boiling point
- 372.26 °C · 372.26°C (rough estimate)
- Density
- 1.13 · 1.13
- refractive index
- 1.645 · 1.6450 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform, Methanol
- pka
- 4.15 · 4.15±0.23(Predicted)
- color
- Colourless to Pale Yellow
- 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
- SMILES
- C1N(C(C2=CC=CC=C2)C)C(C(OC)=O)=CN=1
- FDA UNII
- 18 ZYL8Y51 · Z18ZYL8Y51
Chemistry & industry
Pharmacology
ATC CodeQN - Nervous system
MeSH Pharmacological ClassificationDrugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
Applications
UsesMetomidate is a the methyl ester analogue of Etomidate (E933300), with sedative and hypnotic properties. Metomidate is mainly used as an anesthetic for veterinary use on its own or in combination with Azaperone (A802200) and other sedatives.
Additional notes
DefinitionChEBI: Methomidate is a member of imidazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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