Abiraterone is a 4-azasteroid derivative featuring a fused tetracyclic core with a 3-ketone, 17β-carboxamide, and a terminal naphthalene ring. Its structure incorporates a nitrogen atom at position 4, substituting the A-ring of a steroidal scaffold, and exhibits a conjugated π-system spanning rings A and B. The compound exists as a single enantiomer with stereochemistry defined at C17. As the parent drug, it serves as the synthetic precursor for Abiraterone acetate. This compound functions as an HPLC reference standard for quantification of the parent drug in pharmaceutical formulations.
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C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O
InChI=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
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