Basic information
- CAS
15301-65-2- Standard SMILES
CCOC(=O)c1cncn1C(C)c1ccccc1- InChIKey
NPUKDXXFDDZOKR-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117775
Overview
3-(1-phenylethyl)-4-imidazolecarboxylic acid ethyl ester is a member of imidazoles.
Names & identifiers
- Preferred name
- Ethnor
- IUPAC
- ethyl 3-(1-phenylethyl)imidazole-4-carboxylate
- English name
- ethnor
- Molecular formula
- C14H16N2O2
- Molecular weight
- 244.29
Names & synonyms
Ethnor15301-65-21H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (+-)-RefChem:921225Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylateAbseleRadenarconethyl 3-(1-phenylethyl)imidazole-4-carboxylateAmidate (pharmaceutical)MLS0000349521H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (R)-SMR000010931
Show more names
Respren
DTXCID4030331-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid ethyl esterSR-01000325781rac-EtomidateEtomidate RacemateNCGC00016817-01CAS-33125-97-2(+/-)-Etomidate
Database identifiers
- CAS
15301-65-2、33125-97-2- PubChem CID
- 36339
- DTXSID
DTXSID101347652- ChEMBL
CHEMBL23731- ChEBI
CHEBI:91759- Nikkaji
- J331.127I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Anesthetics
Pharmaceuticals
LogP2.89
Human DrugsPharmaceuticals
Collision Cross Section155.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Boiling point
- 391.5 · 391.5±17.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 4.23 · 4.23±0.23(Predicted)
Chemistry & industry
Pharmacology
ATC CodeN01AX07
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >10
Use ClassificationPharmaceuticals
Applications
DescriptionEthnor is an adsorbable haemostatic bone sealant. It may worsen myasthenia gravis.
Additional notes
DefinitionChEBI: 3-(1-phenylethyl)-4-imidazolecarboxylic acid ethyl ester is a member of imidazoles.
Related reactions
5 records
Compound notes
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