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Abiraterone

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For Research Use Only | Not For Clinical Use
CATAPS154229193
CAS154229-19-3
Structure
SynonymsAbiraterone, (3beta)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol, CB 7598, 17-(3-Pyridinyl)-androsta-5,16-dien-3beta-ol
IUPAC Name(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Weight349.51
Molecular FormulaC24H31NO
Canonical SMILESC[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c5cccnc5
InChIInChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1
Accurate Mass349.2406
FormatNeat
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