Identifikatoren & physikalische Daten
| CAS No. | 62996-74-1 |
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| Summenformel | C28H26N4O3 |
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| Durchschnittliche Molmasse | 466,5 g/mol |
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| Monoisotopische Masse | 466,20049069 g/mol |
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| SMILES | CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
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| InChIKey | HKSZLNNOFSGOKW-FYTWVXJKSA-N |
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| PubChem CID | 44259 |
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| ChEMBL | CHEMBL388978 |
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| ChEBI | CHEBI:15738 |
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| EC No. | 613-127-7 |
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| DTXSID | DTXSID6041131 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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| Polarare Oberfläche (TPSA) | 69,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 35 |
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| Formalladung | 0 |
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| Komplexität | 901 |
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| Arzneimittel | Pharmaceuticals -> AntibioticsPharmaceuticals -> Listed in ZINC15 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)-: 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. 4 (10%) |
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