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Dehydro nimodipine
Dehydro NiModipine · Nimodipine EP Imp A · Nimodipine Impurity 1 · Nimodipine EP Impurity · Nimodipine EP Impurity A · Nimodipine impurity A CRS · Nimodipine impurity A (N0850010) · Nimodipine USP Related Compound A
Identifikatoren & physikalische Daten
| CAS No. | 85677-93-6 |
|---|---|
| Summenformel | C21H24N2O7 |
| Durchschnittliche Molmasse | 416,4 g/mol |
| Monoisotopische Masse | 416,15835111 g/mol |
| SMILES | COCCOC(=O)c1c(C)nc(C)c(C(=O)OC(C)C)c1-c1cccc([N+](=O)[O-])c1 |
| InChIKey | SJJUCKCPGPCJQM-UHFFFAOYSA-N |
| PubChem CID | 529928 |
| EC No. | 889-812-1 |
| DTXSID | DTXSID901376601 |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 121 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 607 |
| Siedepunkt | 494.5±45.0 °C(Predicted) |
| Dichte | 1+-.0.06 g/cm3(Predicted) |
| Lagerbedingungen | Amber Vial, Refrigerator |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 2.35±0.28(Predicted) |
| Aggregatzustand | liquid |
| Farbe | Pale Yellow |
| Stabilität | Light Sensitive |
| Hauptanwendungen | pharmaceuticalpharmaceutical small molecule |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P260, P280, P318, P319, 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 | Repr. 2 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2933399090 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Dehydro Nimodipine is the dehydrogenated analogue and the major metabolite of the calcium channel blocker Nimodipine (N478200).