HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Lomerizine
KB 2796 · TERRANAS · LOMERIZINE · Flometizine · LOMERIZINE HCL · LOMERIZINE DIHCL · Lomerizine USP/EP/BP · Lomerizine in methanol
Identifikatoren & physikalische Daten
| CAS No. | 101477-55-8 |
|---|---|
| Summenformel | C27H30F2N2O3 |
| Durchschnittliche Molmasse | 468,5 g/mol |
| Monoisotopische Masse | 468,22244926 g/mol |
| SMILES | COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC |
| InChIKey | JQSAYKKFZOSZGJ-UHFFFAOYSA-N |
| PubChem CID | 3949 |
| ChEMBL | CHEMBL29188 |
| ChEBI | CHEBI:94682 |
| EC No. | 113-385-6 |
| DTXSID | DTXSID6048387 |
Chemische & physikalische Eigenschaften
| XLogP | 4,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 34 |
| Formalladung | 0 |
| Komplexität | 568 |
| Arzneimittel | Pharmaceuticals -> Nervous system -> Other nervous system drugsPharmaceuticals -> Listed in ZINC15 |
| Siedepunkt | 527.3±45.0 °C(Predicted) |
| Dichte | 1.203±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 6.17±0.10(Predicted) |
| CAS Datenbank | 101477-55-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
antimigraine, cerebral vasodilator, Ca channel blocker