Identifikatoren & physikalische Daten
| CAS No. | 118428-37-8 |
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| Summenformel | C19H18N4O2 |
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| Durchschnittliche Molmasse | 334,4 g/mol |
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| Monoisotopische Masse | 334,14297582 g/mol |
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| SMILES | COc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3[nH]2)cc1 |
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| InChIKey | GLBJJMFZWDBELO-UHFFFAOYSA-N |
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| PubChem CID | 4823 |
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| ChEMBL | CHEMBL24646 |
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| ChEBI | CHEBI:32003 |
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| EC No. | 640-420-7 |
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| DTXSID | DTXSID8048280 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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| Polarare Oberfläche (TPSA) | 79,4 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 25 |
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| Formalladung | 0 |
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| Komplexität | 530 |
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| Animal Drugs | FDA approved animal drugs -> Active ingredientPharmaceuticals -> UK Veterinary Medicines Directorate List |
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| Siedepunkt | 471.18°C (rough estimate) |
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| Dichte | 1.2421 (rough estimate) |
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| Brechungsindex | 1.6620 (estimate) |
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| pKa (Säurekonstante) | 10.21±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P264, P270, P271, P273, P280, P301+P316, P301+P317, P304+P340, P317, P318, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Pimobendan: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Acute Tox. 3 (20%) |
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