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Substance Name: Abiraterone [INN:BAN]
RN: 154229-19-3
UNII: G819A456D0
InChIKey: GZOSMCIZMLWJML-VJLLXTKPSA-N

Note

  • A steroidal inhibitor of cytochrome P450(17alpha)/C17-20 lyase.

    NCI: abiraterone acetate. An orally active acetate salt of the steroidal compound abiraterone with antiandrogen activity. Abiraterone inhibits the enzymatic activity of steroid 17alpha-monooxygenase (17alpha-hydrolase/C17,20 lyase complex), a member of the cytochrome p450 family that catalyzes the 17alpha-hydroxylation of steroid intermediates involved in testosterone synthesis. Administration of this agent may suppress testosterone production by both the testes and the adrenals to castrate-range levels. (NCI Thesaurus)

Molecular Formula

  • C24-H31-N-O

Molecular Weight

  • 349.515
 

Names and Synonyms

Name of Substance

  • Abiraterone
  • Abiraterone [INN:BAN]

Synonyms

  • 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol
  • Abiraterone
  • CB 7598
  • CB 7630 [as acetate]
  • CB-7598
  • UNII-G819A456D0

Systematic Name

  • Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 154229-19-3

FDA UNII

  • G819A456D0

System Generated Number

  • 0154229193

Structure Descriptors

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

InChIKey

GZOSMCIZMLWJML-VJLLXTKPSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CC=C([C@@]4(C)CC[C@H]3[C@@]2(C1)C)c1cnccc1)O