Identifikatoren & physikalische Daten
| CAS No. | 33125-97-2 |
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| Summenformel | C14H16N2O2 |
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| Durchschnittliche Molmasse | 244,29 g/mol |
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| Monoisotopische Masse | 244,12117775 g/mol |
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| SMILES | CCOC(=O)c1cncn1[C@H](C)c1ccccc1 |
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| InChIKey | NPUKDXXFDDZOKR-LLVKDONJSA-N |
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| PubChem CID | 667484 |
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| ChEMBL | CHEMBL23731 |
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| ChEBI | CHEBI:4910 |
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| EC No. | 251-385-9 |
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| DTXSID | DTXSID5023033 |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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| Polarare Oberfläche (TPSA) | 44,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 277 |
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| Arzneimittel | DEA NFLIS-Drug Category -> Depressants and TranquilizersPharmaceuticals -> Listed in ZINC15 |
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| LogP (Verteilungskoeffizient) | 2.9 |
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| Löslichkeit | 4.77e-01 g/L |
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| Human Drugs | Breast FeedingLactationMilk, HumanAnesthetics, IntravenousHypnotics and SedativesFDA approved drugs -> Active ingredient |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 142-142.867 °C |
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| Physical Description | Solid |
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| Collision Cross Section | 156.12 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 62 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (R)- |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Unerwünschte Wirkungen | Transient inhibition of adrenal steroid synthesis is considered etomidate's most significant adverse effect. A single bolus dose causes a dose-dependent inhibition of 11-beta-hydroxylase lasting 6 to 12 hours. This enzyme is responsible for converting 11-deoxycortisol to cortisol, which results in adrenocortical suppression. Hence, it poses a theoretical risk of impairing a patient's ability to produce an adequate stress response. 80% of patients were found to have etomidate-induced adrenal inhibition at 12 hours, and most patients' suppression had resolved by 48 hours. Etomidate is no longer administered by continuous infusion because of the risks of sustained suppression of endogenous cortisol and aldosterone production. |
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| Toxizitätsübersicht | According to manufacturer labeling, overdose can occur from too rapid and repeated injections. In addition, the administration of rapid injections is followed by a fall in blood pressure. There is no antidote for etomidate. In a suspected case of overdosage, etomidate should be discontinued, a patent airway established (intubate, if necessary) or maintained, and oxygen administered with assisted ventilation. |
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| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)EtomidatevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
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| Effects During Pregnancy and Lactation |
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