HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Esomeprazole Magnesium
(T-4)-bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-κO]-1H-benzimidazolato-κN3]-magnesium · Chebi:50309 · S-Form magnesium salt · Esomeprazole magnesium · Esomeprazole magneslum · (-)-Omeprazole Magnesium · Esomeprazole magnesium API · ESOMEPRAZOLE MAGNESIUM/SODIUM
Identifikatoren & physikalische Daten
| CAS No. | 161973-10-0 |
|---|---|
| Summenformel | C34H36MgN6O6S2 |
| Durchschnittliche Molmasse | 713,1 g/mol |
| SMILES | COc1ccc2[n-]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2] |
| InChIKey | KWORUUGOSLYAGD-YPPDDXJESA-N |
| PubChem CID | 9568613 |
| ChEMBL | CHEMBL5314366 |
| ChEBI | CHEBI:50309 |
| EC No. | 627-029-7 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 163 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 14 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 49 |
| Formalladung | 0 |
| Komplexität | 453 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Schmelzpunkt | >169°C (dec.) |
| Siedepunkt | 600° |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | Off-White to Beige |
| BCS Class | 3 |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h2*5-8H,9H2,1-4H3/q2*-1+2 |
| InChIKey | KWORUUGOSLYAGD-UHFFFAOYSA-N |
| SMILES | C(C1N=CC(C)=C(OC)C=1C)S1C2[N-]C3=CC(OC)=CC=C3N=2[Mg+2]2(O=S(CC3N=CC(C)=C(OC)C=3C)C3[N-]C4=CC(OC)=CC=C4N2=3)O=1 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.WarningH302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (28.6%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Antiulcerative