HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-((1-oxobutoxy)methyl) ester
Clevidipine impurity · levidipine · Clevidipine · Clevidipine USP/EP/BP · 3-((butyryloxy)Methyl) 5-Methyl 4-(2,3-dichlorophenyl)-2,6-diMethylpyridine-3,5-dicarboxylate · (±)-4-(2,3-Dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid butoxy methyl methyl diester
Identifikatoren & physikalische Daten
| CAS No. | 166432-28-6 |
|---|---|
| Summenformel | C21H23Cl2NO6 |
| Durchschnittliche Molmasse | 456,3 g/mol |
| Monoisotopische Masse | 455,09024282 g/mol |
| SMILES | CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl |
| InChIKey | KPBZROQVTHLCDU-UHFFFAOYSA-N |
| PubChem CID | 153994 |
| ChEMBL | CHEMBL1237132 |
| ChEBI | CHEBI:135738 |
| EC No. | 682-702-2 |
| DTXSID | DTXSID6057661 |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 90,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 748 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Schmelzpunkt | 137-139°C |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P264, P270, P280, P301+P316, P308+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (33.3%)Repr. 2 (100%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)ClevidipinevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H361 |
Anwendungen & Verwendung
Verwenden
Antihypertensive.