HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4850Erstellt: 25. Oktober 2026
Piribedil
PIRIBEDIL · Piribendyl · ET-495 · EU-4200 · Pibedil · Piribedi · Pirbedil · Trivastan
https://huagongshe.com/de/chemical/4850
Identifikatoren & physikalische Daten
| CAS No. | 3605-01-4 |
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| Summenformel | C16H18N4O2 |
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| Durchschnittliche Molmasse | 298,34 g/mol |
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| Monoisotopische Masse | 298,14297582 g/mol |
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| SMILES | c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1 |
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| InChIKey | OQDPVLVUJFGPGQ-UHFFFAOYSA-N |
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| PubChem CID | 4850 |
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| ChEMBL | CHEMBL1256997 |
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| ChEBI | CHEBI:92833 |
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| EC No. | 222-764-6 |
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| DTXSID | DTXSID9045188 |
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| Lokaler Name | Piribedil |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 50,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 356 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| LogP (Verteilungskoeffizient) | 2.84 |
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| Collision Cross Section | 165.31 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
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| Schmelzpunkt | 98° |
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| Siedepunkt | 439.76°C (rough estimate) |
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| Dichte | 1.1183 (rough estimate) |
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| Brechungsindex | 1.6000 (estimate) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
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| pKa (Säurekonstante) | 7.17±0.10(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | White |
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| Merck | 14,7493 |
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| InChI | InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2 |
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| InChIKey | OQDPVLVUJFGPGQ-UHFFFAOYSA-N |
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| SMILES | C1(N2CCN(CC3=CC=C4OCOC4=C3)CC2)=NC=CC=N1 |
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| CAS Datenbank | 3605-01-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P263, P264, P270, P271, P273, P301+P317, P304+P340, P318, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 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 (50%) |
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| Zollcode | 2933.59.8000 |
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| RTECS-Nr. | UV9704000 |
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| Toxizität | LD50 in mice (mg/kg): 88 i.v., 690 i.p., 1460 orally (Laubie) |
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