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Procainamidhydrochlorid
PROCAINAMIDE HCL · Pronestyl · Procapan · Procanbid · Promide · Amisalin · amidoprocain · TIMTEC-BB SBB001067
Identifikatoren & physikalische Daten
| CAS No. | 614-39-1 |
|---|---|
| Summenformel | C13H22ClN3O |
| Durchschnittliche Molmasse | 271,78 g/mol |
| Monoisotopische Masse | 271,14514 g/mol |
| SMILES | CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl |
| InChIKey | ABTXGJFUQRCPNH-UHFFFAOYSA-N |
| PubChem CID | 66068 |
| ChEMBL | CHEMBL605 |
| EC No. | 210-381-7 |
| DTXSID | DTXSID2049422 |
| Lokaler Name | Procainamidhydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 58,4 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 221 |
| Löslichkeit | >40.8 [ug/mL] (The mean of the results at pH 7.4)H2O: soluble1g/10 mL, clear, greenish-yellow |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Collision Cross Section | 155.8 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 165-168 °C |
| Dichte | 1.2027 (rough estimate) |
| Brechungsindex | 1.6330 (estimate) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Powder |
| Farbe | White to slightly yellow |
| Merck | 13,7845 |
| BRN | 3729517 |
| InChI | InChI=1S/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)1H |
| InChIKey | ABTXGJFUQRCPNH-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(N)C=C1)C(=O)NCCN(CC)CC.Cl |
| CAS Datenbank | 614-39-1(CAS DataBase Reference) |
| EPA chemische Informationen | Benzamide, 4-amino-N-[2-(diethylamino)ethyl]-, monohydrochloride (614-39-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - Benzamide, 4-amino-N-[2-(diethylamino)ethyl]-, monohydrochloride: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Procainamide hydrochloridevLess-DILI-concern4Adverse reactionsDOI:10.1016/j.drudis.2016.02.015 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29242990 |
| RTECS-Nr. | CV2295000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Procainamide hydrochloride (PAH) is suitable to investigate its binding behavior with human serum albumin and bovine serum albumin by fluorescence quenching study to understand the pharmacokinetic and pharmacodynamic mechanisms of PAH.