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HCID 978607Erstellt: 31. Oktober 2026
7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione
7-BENZYL-1,3-DIMETHYL-8-(1-PIPERAZINYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE · 7-benzyl-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione · 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-8-(1-piperazinyl)-
https://huagongshe.com/de/chemical/978607
Identifikatoren & physikalische Daten
| CAS No. | 389060-02-0 |
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| Summenformel | C18H22N6O2 |
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| Durchschnittliche Molmasse | 354,4 g/mol |
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| Monoisotopische Masse | 354,18042397 g/mol |
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| SMILES | Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2)n(C)c1=O |
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| InChIKey | QFSMMXJBEBXTJP-UHFFFAOYSA-N |
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| PubChem CID | 978607 |
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| ChEMBL | CHEMBL235134 |
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| ChEBI | CHEBI:45565 |
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| EC No. | 114-427-6 |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 73,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 26 |
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| Formalladung | 0 |
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| Komplexität | 546 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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