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HCID 11069352Erstellt: 27. Oktober 2026
(3S,8R,9S,10R,13S,14S)-17-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-3-ol
BNKY019-AA02 · Hydroxy Abiraterone · 1-((8R,9S,10R,13S,14S) · Abiraterone Impurity 25 · Abiraterone Impurity 34 · Abiraterone Impurity 69 · Abiraterone Impurity 02 · Abiraterone Hydroxy Impurity
https://huagongshe.com/de/chemical/11069352
Identifikatoren & physikalische Daten
| CAS No. | 32138-69-5 |
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| Summenformel | C19H27IO |
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| Durchschnittliche Molmasse | 398,3 g/mol |
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| Monoisotopische Masse | 398,11066348 g/mol |
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| SMILES | C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(I)=CC[C@@H]12 |
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| InChIKey | DHZJEYGWSNDRGN-USOAJAOKSA-N |
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| PubChem CID | 11069352 |
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| EC No. | 692-056-3 |
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| DTXSID | DTXSID40454083 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,7 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 522 |
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| Schmelzpunkt | 175-176℃ |
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| Siedepunkt | 447.5±45.0 °C(Predicted) |
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| Dichte | 1.45 |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
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| pKa (Säurekonstante) | 14.69±0.70(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | White to Off-White |
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| InChI | InChI=1/C19H27IO/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,6,13-16,21H,4-5,7-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/s3 |
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| InChIKey | DHZJEYGWSNDRGN-XEZBUBAUNA-N |
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| SMILES | [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(I)=CC3)CC=2 |&1:0,4,8,10,12,14,r| |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.DangerH317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]P203, P260, P261, P264, P270, P272, P273, P280, P302+P352, P318, P319, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Sens. 1 (33.3%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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