V8D

Etomidate

Created:	2020-07-14
Last modified:	2024-01-23

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3 entries where V8D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	1
Bond Count	35
Aromatic Bond Count	11

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Chemical Component Summary
Name	Etomidate
Systematic Name (OpenEye OEToolkits)	ethyl 3-[(1~{R})-1-phenylethyl]imidazole-4-carboxylate
Formula	C₁₄ H₁₆ N₂ O₂
Molecular Weight	244.289
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C)(n1c(cnc1)C(OCC)=O)c2ccccc2
SMILES	CACTVS	3.385	CCOC(=O)c1cncn1[CH](C)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)c1cncn1C(C)c2ccccc2
Canonical SMILES	CACTVS	3.385	CCOC(=O)c1cncn1[C@H](C)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)c1cncn1[C@H](C)c2ccccc2
InChI	InChI	1.03	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
InChIKey	InChI	1.03	NPUKDXXFDDZOKR-LLVKDONJSA-N

Drug Info: DrugBank

DrugBank ID	DB00292
Name	Etomidate
Groups	approved
Description	Imidazole derivative anesthetic and hypnotic with little effect on blood gases, ventilation, or the cardiovascular system. It has been proposed as an induction anesthetic.
Synonyms	3-((R)-1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid ethyl ester R-(+)-ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid ethyl ester (+)-etomidate Etomidatum Etomidate (R)-(+)-1-(α-methylbenzyl)imidazole-5-carboxylic acid ethyl ester (+)-ethyl 1-(α-methylbenzyl)imidazole-5-carboxylate Etomidato
Brand Names	Amidate(tm) Etomidate ETOMIDATE injection, solution Etomidate Injection USP Amidate Etomidate Tomvi Etomidate Injection, USP
Indication	Used in the induction of general anesthesia.
Categories	Adrenergic Agonists Adrenergic alpha-2 Receptor Agonists Adrenergic alpha-Agonists Agents producing tachycardia Agents that produce hypertension Anesthetics Anesthetics, General Anesthetics, Intravenous Central Nervous System Agents Central Nervous System Depressants Drugs that are Mainly Renally Excreted Hypnotics and Sedatives Imidazoles Nervous System
ATC-Code	N01AX07
CAS number	33125-97-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Gamma-aminobutyric acid receptor subunit alpha-1	MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLL...	unknown	agonist
Alpha-2B adrenergic receptor	MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLF...	unknown	agonist
GABA(A) Receptor	MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLL...	unknown	positive allosteric modulator
Cytochrome P450 11B1, mitochondrial	MALRAKAEVCMAVPWLSLQRAQALGTRAARVPRTVLPFEAMPRRPGNRWL...	unknown	inhibitor
Cytochrome P450 11B2, mitochondrial	MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWL...	unknown	inhibitor
Solute carrier family 2, facilitated glucose transporter member 1	MEPSSKKLTGRLMLAVGGAVLGSLQFGYNTGVINAPQKVIEEFYNQTWVH...	unknown	inhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682