HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 115367Erstellt: 4. November 2026
SM 9018
Lullan · PEROSPIRONE HYDROCHLORIDE HYDRATE · Lulla · sm-9018 · D8-Perospirone HCl · 2H8]-Perospirone HCl · SM-9018 hydrochloride · PEROSPIRONE HYDROCHLORIDE
https://huagongshe.com/de/chemical/115367
Identifikatoren & physikalische Daten
| CAS No. | 129273-38-7 |
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| Summenformel | C23H31ClN4O2S |
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| Durchschnittliche Molmasse | 463 g/mol |
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| Monoisotopische Masse | 462,1856251 g/mol |
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| SMILES | Cl.O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1 |
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| InChIKey | HIZFAPMOZFYELI-GNXQHMNLSA-N |
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| PubChem CID | 115367 |
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| ChEMBL | CHEMBL1713496 |
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| EC No. | 889-491-8 |
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| DTXSID | DTXSID9046449 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 85 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 31 |
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| Formalladung | 0 |
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| Komplexität | 615 |
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| Schmelzpunkt | 95-970C |
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| Lagerbedingungen | -20°C Freezer |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| Farbe | White to Off-White |
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| InChIKey | HIZFAPMOZFYELI-GNXQHMNLNA-N |
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| SMILES | C(N1CCN(C2=NSC3C=CC=CC2=3)CC1)CCCN1C([C@@]2([H])CCCC[C@@]2([H])C1=O)=O.Cl |&1:21,27,r| |
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| CAS Datenbank | 129273-38-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 1 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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