HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(3-(2-Chlor-10H-phenothiazin-10-yl)propyl)-4-piperidincarboxamid
SC 9387 · RP-9153 · Nometine · Nausidol · Mornidine · pipamazine · pipamazine USP/EP/BP · 1-[3-(2-chlorophenothiazin-10-yl)propyl]isonipecotamide
Identifikatoren & physikalische Daten
| CAS No. | 84-04-8 |
|---|---|
| Summenformel | C21H24ClN3OS |
| Durchschnittliche Molmasse | 402 g/mol |
| Monoisotopische Masse | 401,1328613 g/mol |
| SMILES | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 |
| InChIKey | OSJJYEUEJRVVOD-UHFFFAOYSA-N |
| PubChem CID | 6761 |
| ChEMBL | CHEMBL1909072 |
| ChEBI | CHEBI:135641 |
| EC No. | 201-512-9 |
| DTXSID | DTXSID3023477 |
| Lokaler Name | 1-(3-(2-Chlor-10H-phenothiazin-10-yl)propyl)-4-piperidincarboxamid |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 514 |
| LogP (Verteilungskoeffizient) | 4.42 |
| Schmelzpunkt | about 139° |
| Siedepunkt | 626.6±55.0 °C(Predicted) |
| Dichte | 1.1253 (rough estimate) |
| Brechungsindex | 1.6340 (estimate) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | pKa 8.60(H2O,t =24±1,I=0.002) (Uncertain) |
| Farbe | Off-White to Pale Beige |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)PipamazinevMost-DILI-concern8WithdrawnDOI:10.1016/j.drudis.2016.02.015 |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Pipamazine is a drug od the phenothiazine class which used to be used as an antiemetic.