HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(3S,4aS,8aS)-2-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-tert-butyldecahydroisoquinoline-3-carboxamide
Saquinavir EP Impurity C · Saquinavir Mesylate EP Impurity C · Saquinavir Mesilate EP Impurity C · (N-tert-butyl-2-(3-amino-2-hydroxy-4-phenylbutyl)- decahydro isoquinoline-4-carboxamide) · 2-(3-amino-2-hydroxy-4-phenylbutyl)decahydroisoquinoline-3-carboxylic acid tert-butylamide · (3S,4a,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-tert-butyldecahydroisoquinolin-3-carboxamide · "cis-N-butyldecahydro-2--(4aS,8aS)-isoquinoline-3(S)-carboxaMide · (3S,4as,8as)-2-[(2R,3S)-3-Amino-2-Hydroxy-4-Phenylbutyl]-N-Tert-Butyldecahydroisoquinoline-3-Carboxamide
Identifikatoren & physikalische Daten
| CAS No. | 136522-17-3 |
|---|---|
| Summenformel | C24H39N3O2 |
| Durchschnittliche Molmasse | 401,6 g/mol |
| Monoisotopische Masse | 401,3042275 g/mol |
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](N)Cc1ccccc1 |
| InChIKey | YJRJYYPXNAHNMD-LILSUDLASA-N |
| PubChem CID | 9865804 |
| ChEMBL | CHEMBL3706527 |
| EC No. | 430-230-0 |
| DTXSID | DTXSID90628696 |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 78,6 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 527 |
| Schmelzpunkt | 163-165°C |
| Dichte | 1.078 |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Slightly) Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 13-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/3524 |
| Hazard Classes and Categories | Acute toxicity - category 4Hazardous to the aquatic environment (chronic) - category 3Acute Tox. 4 *Aquatic Chronic 3 |
| R-Sätze (R) | 22-52/53 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-61 |
Anwendungen & Verwendung
Verwenden
(3S,4aS,8aS)-