식별자 및 물리적 특성
| CAS No. | 33125-97-2 |
|---|
| 분자식 | C14H16N2O2 |
|---|
| 평균 분자량 | 244.29 g/mol |
|---|
| 단동위원소 질량 | 244.12117775 g/mol |
|---|
| SMILES | CCOC(=O)c1cncn1[C@H](C)c1ccccc1 |
|---|
| InChIKey | NPUKDXXFDDZOKR-LLVKDONJSA-N |
|---|
| PubChem CID | 667484 |
|---|
| ChEMBL | CHEMBL23731 |
|---|
| ChEBI | CHEBI:4910 |
|---|
| EC No. | 251-385-9 |
|---|
| DTXSID | DTXSID5023033 |
|---|
화학 및 물리적 성질
| XLogP | 3 |
|---|
| 극성 표면적 | 44.1 |
|---|
| 수소 결합 공여자 수 | 0 |
|---|
| 수소 결합 수용자 수 | 3 |
|---|
| 회전 가능 결합 수 | 5 |
|---|
| 무거운 원자 수 | 18 |
|---|
| 형식 전하 | 0 |
|---|
| 복잡도 | 277 |
|---|
| 의약품 | DEA NFLIS-Drug Category -> Depressants and TranquilizersPharmaceuticals -> Listed in ZINC15 |
|---|
| LogP(분배 계수) | 2.9 |
|---|
| 용해도 | 4.77e-01 g/L |
|---|
| Human Drugs | Breast FeedingLactationMilk, HumanAnesthetics, IntravenousHypnotics and SedativesFDA approved drugs -> Active ingredient |
|---|
| Endocrine Disruptors | Potential endocrine disrupting compound |
|---|
| 녹는점 | 142-142.867 °C |
|---|
| Physical Description | Solid |
|---|
| Collision Cross Section | 156.12 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
|---|
안전 및 규제
| GHS 분류 | 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. |
|---|
| 규제 정보 | Chemical: 1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (R)- |
|---|
| 기타 안전 정보 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| 유해 작용 | 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. |
|---|
| 독성 요약 | 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. |
|---|
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)EtomidatevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
|---|
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
|---|
