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((4-Phenylbutyl)hydroxyphosphoryl)acetic acid
Fosinopril Impurity A · Fosinopril Sodium Impurity 15 · 4-Phenybutyl 2-Carboxyethylphosphinic Acid · ((4-phenylbutyl)hydroxyphosphoryl)acetic acid · HYDROXYL(4-PHENYLBUTYL)PJOSPHINYL]ACETIC ACID · HYDROXYL(4-PHENYLBUTYL)PHOSPHINYL]ACETIC ACID · [Hydroxy(4-phenylbutyl)phosphinyl]-acetic acid · Hydroxy(4-phenylbutyl)phosphinoylacetatic acid
Identifikatoren & physikalische Daten
| CAS No. | 83623-61-4 |
|---|---|
| Summenformel | C12H17O4P |
| Durchschnittliche Molmasse | 256,23 g/mol |
| Monoisotopische Masse | 256,08644602 g/mol |
| SMILES | O=C(O)CP(=O)(O)CCCCc1ccccc1 |
| InChIKey | WRXLMKMDSUIHDK-UHFFFAOYSA-N |
| PubChem CID | 13102401 |
| EC No. | 412-170-7 |
| DTXSID | DTXSID90518220 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 284 |
| Dichte | 1.252 |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | 1S/C12H17O4P/c13-12(14)10-17(15,16)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,14)(H,15,16) |
| InChIKey | WRXLMKMDSUIHDK-UHFFFAOYSA-N |
| SMILES | [P](=O)(O)(CCCCc1ccccc1)CC(=O)O |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P319, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2547 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Skin Sens. 1 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%)STOT RE 2 (100%)Specific target organ toxicity (repeated exposure) - category 2Eye damage - category 1Skin sensitisation - category 1STOT RE 2 * |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| R-Sätze (R) | 41-43-48/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Fosinopril impurity A