Substance
  • Substance Name: abiraterone acetate
  • Formula: C26H33NO2
  • Molecular Weight: 391.5 g/mol
  • Identifiers:
    • inchi: InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1
    • inchikey: UVIQSJCZCSLXRZ-UBUQANBQSA-N
    • casrn: 154229-18-2
    • csmiles: CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4C5=CN=CC=C5)C)C
    • ismiles: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C
    • pubchemId: 9821849
    • iupacname: [(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-yl] acetate
    • wikidataId: Q27888393
    • chemspiderId: 7997598
    • dsstoxcmpId: DTXCID4028969
    • chemblId: CHEMBL271227
    • ecnumber: 620-314-7
abiraterone acetate
Systems and Datasets