Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Nicardipine
NICARDIPINE · NicardipineBase · Nicardipine USP/EP/BP · Nicardipine, 10 mM in DMSO · benzylmethylamino)ethylmethylester · NICARDIPINE 20% SR, 33% SR PELLETS · Nicardipine (base and/or unspecified salts) · 2-(benzylmethylamino)ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)pyridine-3,5-dicarboxylate
식별자 및 물리적 특성
| CAS No. | 55985-32-5 |
|---|---|
| 분자식 | C26H29N3O6 |
| 평균 분자량 | 479.5 g/mol |
| 단동위원소 질량 | 479.20563565 g/mol |
| SMILES | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1 |
| InChIKey | ZBBHBTPTTSWHBA-UHFFFAOYSA-N |
| PubChem CID | 4474 |
| ChEMBL | CHEMBL1484 |
| ChEBI | CHEBI:7550 |
| EC No. | 259-932-3 |
| DTXSID | DTXSID6023363 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 114 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 10 |
| 무거운 원자 수 | 35 |
| 형식 전하 | 0 |
| 복잡도 | 856 |
| LogP(분배 계수) | 3.6 |
| 용해도 | 2.47e-03 g/L디클로로메탄메탄올 에 용해됨 |
| Human Drugs | Breast FeedingLactationMilk, HumanAntihypertensive AgentsCalcium Channel BlockersVasodilator AgentsPharmaceuticals |
| 녹는점 | 136-138 °C136 - 138 °C |
| Physical Description | Solid |
| Collision Cross Section | 211.2 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9046992]212.1 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]208.67 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 끓는 점 | 603.4±55.0 °C(Predicted) |
| 밀도 | 1.230±0.06 g/cm3(Predicted) |
| 저장 조건 | Store at -20°C |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 7.30±0.50(Predicted) |
| 색상 | 노란색 |
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 기타 안전 정보 | IMAP assessments - 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino]ethyl ester: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Hepatotoxicity | Nicardipine has not been associated with significant increases in rates of elevations in serum aminotransferase or alkaline phosphatase levels, even with chronic long term therapy. Cases of idiosyncratic liver injury have not been published, although a single instance of marked serum enzyme elevations without jaundice has been reported with the use of intravenous nicardipine. Large trials of nicardipine have not mentioned liver injury, serum aminotransferase elevations or discontinuation of drug because of hepatic adverse events. Thus, clinically apparent liver injury with jaundice due to nicardipine must be rare, if it occurs at all. |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)nicardipineDILI NegativeOralDOI:10.1016/j.drudis.2019.09.022 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 신호 어 | Warning |
| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302 |
용도
용도
Nicardipine is a dihydropyridine calcium channel blocker. Antianginal; antihypertensive. Neuroprotective & Neuroresearch products.