Basic information
- CAS
53188-20-8- Standard SMILES
CCOC(=O)c1cncn1[C@H](C)c1ccccc1.Cl- InChIKey
NCDXBSVHIGDPOE-RFVHGSKJSA-N- Molecular formula
- C14H17ClN2O2
- Average molar mass
- 280.75 g/mol
Names & identifiers
- Preferred name
- 1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, ethyl ester, hydrochloride (1:1)
- IUPAC
- ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;hydrochloride
- English name
- ethyl (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylate monohydrochloride
- Molecular formula
- C14H17ClN2O2
- Molecular weight
- 280.74998
Names & synonyms
Etomidate hydrochloride53188-20-8ZUM3W5027SRefChem:10580131H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, ethyl ester, hydrochloride (1:1)258-423-3Etomidate (hydrochloride)Ethyl (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylate monohydrochlorideethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;hydrochloride(R)-Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate hydrochlorideEINECS 258-423-3R16659 hydrochloride
Show more names
Etomidate HCl1H-Imidazole-5-carboxylicacid, 1-(1-phenylethyl)-, ethyl ester, monohydrochloride, (R)- (9CI)R-16659,R 16659,GABA Receptor,Gamma-aminobutyric acid Receptor,Inhibitor,Etomidate hydrochloride,inhibit,Etomidate,γ-Aminobutyric acid Receptor,R16659
UNII-ZUM3W5027SEtomidatehydrochloride(+)-Ethyl, 3-(alpha-methylbenzyl)-4-imidazolecarboxylate hydrochloride4-Imidazolecarboxylic acid, 3-(alpha-methylbenzyl)-, ethyl ester, hydrochloride, (+)-orb1217920SCHEMBL11323863HY-B0100ANCDXBSVHIGDPOE-RFVHGSKJSA-N
Properties
Computed structural properties
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 136 · 136 - 139°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Sparingly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 3 W5027S · ZUM3W5027S
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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