Chemical Compound

Abiraterone decanoate

CAS Registry Number2486052-18-8
Abiraterone decanoate chemical structure
Primary record

Abiraterone decanoate

CAS
2486052-18-8
PubChem CID
155105032
SMILES
CCCCCCCCCC(=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
Molecular Formula
C34H49NO2
Molecular Weight
503.771
Exact Mass
503.3763
InChI
InChI=1S/C34H49NO2/c1-4-5-6-7-8-9-10-13-32(36)37-27-18-20-33(2)26(23-27)14-15-28-30-17-16-29(25-12-11-22-35-24-25)34(30,3)21-19-31(28)33/h11-12,14,16,22,24,27-28,30-31H,4-10,13,15,17-21,23H2,1-3H3/t27-,28-,30-,31-,33-,34+/m0/s1
InChIKey
XPCSGTPPHYORKJ-YHXMLEJGSA-N
LogP
9.0902
TPSA
39.19

Names and synonyms

  • Abiraterone decanoate
  • PRL-02
  • Abiraterone decanoate?
  • U6XMS339F5
  • Abiraterone Decanoate-d17
  • RefChem:108534
  • UNII-U6XMS339F5
  • 2486052-18-8
  • orb1686609
  • Abiraterone decanoate [WHO-DD]
  • CHEMBL5314964
  • SCHEMBL22414033
  • C34H49NO2
  • 2486052-18-8(unlabelled)
  • EX-A6907
  • FA182209
  • HY-145786
  • CS-0433104
  • F96146
  • A1023325
  • [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(3-pyridyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] decanoate
  • [(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] decanoate
  • N/A