Identifikatoren & physikalische Daten
| CAS No. | 107133-36-8 |
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| Summenformel | C23H43N3O5 |
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| Durchschnittliche Molmasse | 441,6 g/mol |
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| Monoisotopische Masse | 441,32027148 g/mol |
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| SMILES | CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC |
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| InChIKey | IYNMDWMQHSMDDE-MHXJNQAMSA-N |
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| PubChem CID | 441313 |
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| ChEMBL | CHEMBL1200343 |
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| ChEBI | CHEBI:8025 |
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| EC No. | 600-798-6 |
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| DTXSID | DTXSID1044198 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 122 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 9 |
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| Schwere Atome | 31 |
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| Formalladung | 0 |
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| Komplexität | 549 |
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| Human Drugs | FDA approved drugs -> Active ingredient |
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| Collision Cross Section | 188.8 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.4% (1 of 71) of reports.WarningH302 (88.7%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 71 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (88.7%) |
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| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Perindopril erbumineAmbiguous-DILI-concern3Adverse reactionsDOI:10.1016/j.drudis.2016.02.015 |
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