etomidate   

GtoPdb Ligand ID: 5463

Synonyms: Amidate® | D-etomidate | R 16659
etomidate is an approved drug (FDA (1982))
Compound class: Synthetic organic
Comment: Etomidate is a hypnotic agent. Note that we represent the exact chemical structure of the compound as submitted with its INN record.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 44.12
Molecular weight 244.12
XLogP 2.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCOC(=O)c1cncn1C(c1ccccc1)C
Isomeric SMILES CCOC(=O)c1cncn1[C@@H](c1ccccc1)C
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
InChI Key NPUKDXXFDDZOKR-LLVKDONJSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1982))
IUPAC Name
ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
International Nonproprietary Names
INN number INN
1926 etomidate
Synonyms
Amidate® | D-etomidate | R 16659
Comments
Etomidate is a hypnotic agent. Note that we represent the exact chemical structure of the compound as submitted with its INN record.
Database Links
CAS Registry No. 33125-97-2
ChEBI CHEBI:4910
ChEMBL Ligand CHEMBL681
DrugBank Ligand DB00292
DrugCentral Ligand 1109
GtoPdb PubChem SID 178102113
PubChem CID 667484
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Wikipedia Etomidate

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Tocris
Etomidate
Cat. No. 1471