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2-(Benzylmethylamino)ethylmethyl-1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)pyridin-3,5-dicarboxylat
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
Identifikatoren & physikalische Daten
| CAS No. | 55985-32-5 |
|---|---|
| Summenformel | C26H29N3O6 |
| Durchschnittliche Molmasse | 479,5 g/mol |
| Monoisotopische Masse | 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 |
| Lokaler Name | 2-(Benzylmethylamino)ethylmethyl-1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)pyridin-3,5-dicarboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 114 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 35 |
| Formalladung | 0 |
| Komplexität | 856 |
| LogP (Verteilungskoeffizient) | 3.6 |
| Löslichkeit | 2.47e-03 g/LDichloromethaneMethanol |
| Human Drugs | Breast FeedingLactationMilk, HumanAntihypertensive AgentsCalcium Channel BlockersVasodilator AgentsPharmaceuticals |
| Schmelzpunkt | 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] |
| Siedepunkt | 603.4±55.0 °C(Predicted) |
| Dichte | 1.230±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 7.30±0.50(Predicted) |
| Farbe | Yellow |
| CAS Datenbank | 55985-32-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
|---|---|
| Weitere Sicherheitsinformationen | 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 |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Nicardipine is a dihydropyridine calcium channel blocker. Antianginal; antihypertensive. Neuroprotective & Neuroresearch products.