HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Lafutidine
(Z)-FRG-8813 · (Z)-Lafutidine · rac Lafutidine
Identifikatoren & physikalische Daten
| CAS No. | 118288-08-7 |
|---|---|
| Summenformel | C22H29N3O4S |
| Durchschnittliche Molmasse | 431,6 g/mol |
| Monoisotopische Masse | 431,18787759 g/mol |
| SMILES | O=C(CS(=O)Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1 |
| InChIKey | KMZQAVXSMUKBPD-DJWKRKHSSA-N |
| PubChem CID | 5282136 |
| ChEMBL | CHEMBL1742461 |
| ChEBI | CHEBI:31759 |
| EC No. | 601-513-8 |
| DTXSID | DTXSID0046434 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 104 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 569 |
| Arzneimittel | Pharmaceuticals -> Gastric and Ulcer Drugs |
| Schmelzpunkt | 94-99°C |
| Siedepunkt | 704.2±60.0 °C(Predicted) |
| Dichte | 1.252 |
| Lagerbedingungen | Amber Vial, -20°C Freezer |
| Löslichkeit | Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.13±0.46(Predicted) |
| Farbe | White to Pale Yellow |
| Stabilität | Light Sensitive |
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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)LafutidineDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
rac Lafutidine is a second generation histamine H2-receptor antagonist. Lafutidine is used as an antiulcerative.