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Nap-226-90
RivastigMine Related CoMpound C · NAP 226-90 · RivastigMine USP RC C · RIVASTIGMINE METABOLITE · Capalatine EP Impurity A · Rivastigmine BP Impurity A · Rivastigmine EP Impurity A · RivastigmineEPImpurityA-d6
Identifikatoren & physikalische Daten
| CAS No. | 139306-10-8 |
|---|---|
| Summenformel | C10H15NO |
| Durchschnittliche Molmasse | 165,23 g/mol |
| Monoisotopische Masse | 165,1153641 g/mol |
| SMILES | C[C@@H](c1cccc(O)c1)N(C)C |
| InChIKey | GQZXRLWUYONVCP-QMMMGPOBSA-N |
| PubChem CID | 445892 |
| EC No. | 691-246-3 |
| DTXSID | DTXSID60161005 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 136 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 87-88°C |
| Siedepunkt | 241℃ |
| Dichte | 1.021 |
| Flammpunkt | 97℃ |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.86±0.10(Predicted) |
| Farbe | White to Off-White |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1 |
| InChIKey | GQZXRLWUYONVCP-QMMMGPOBSA-N |
| SMILES | C1(O)=CC=CC([C@@H](N(C)C)C)=C1 |
| CAS Datenbank | 139306-10-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (75%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29222990 |
| R-Sätze (R) | 36-43 |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
NAP 226-90 is a metabolite of rivastigmine that is formed by hydrolysis.