Abiraterone

Molecule SVG Image

Properties Simple | Detailed

Formula C24H32NO
IUPAC Name (3s,8r,9s,10r,13s,14s)-10,13-dimethyl-17-(3h-pyridin-1-ium-3-id-5-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 350.517 g·mol−1
Heat of Formation -105.4 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 448.8 Å 3
Surface Area 357.14 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • (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-ol
  • (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
  • 17-(3-pyridyl)androsta-5,16-dien-3beta-ol
  • androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3beta)-
  • cb 7598
  • cb-7598
CAS Number(s)
  • 154229-19-3
InChIKey GZOSMCIZMLWJML-VJLLXTKPSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N