chempirical

Etomidate

C14H16N2O2CAS 33125-97-2244.29 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C14H16N2O2
Molar mass
244.29 g/mol
Exact mass
244.1212 Da
Melting point
67 °C
Boiling point
160–162 °C (at 1 Torr)
logP
2.67Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 62 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, P501

Identifiers

CAS number
33125-97-2
SMILES
CCOC(=O)c1cncn1[C@H](C)c1ccccc1
InChIKey
NPUKDXXFDDZOKR-LLVKDONJSA-N
InChI
InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • d-Etomidate
  • 1H-Imidazole-5-carboxylic acid, 1-[(1R)-1-phenylethyl]-, ethyl ester
  • Imidazole-5-carboxylic acid, 1-(α-methylbenzyl)-, ethyl ester, (R)-(+)-
  • 1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (R)-
  • R 16659
  • (+)-Etomidate
  • Hypnomidate
  • Amidate
  • Amidate (pharmaceutical)
  • Radenarcon
  • Propiscin
  • Lipuro
  • R-(+)-Etomidate
  • 1H-Imidazole-5-carboxylic acid 1-[(1R)-1-phenylethyl]-, ethyl ester
  • (R)-Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate

Work with Etomidate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl benzoate93-89-044 % similar Diethyl phthalate84-66-242 % similar Ethyl nicotinate614-18-642 % similar Diethyl phenylmalonate83-13-642 % similar Ethyl 2-bromobenzoate6091-64-141 % similar Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-040 % similar Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate16205-44-040 % similar Ethyl 2-pyridinecarboxylate2524-52-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

O-Dianisidine119-90-4 2,2′-[1,2-Ethanediylbis(oxy)]bis[benzenamine]52411-34-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook