Abiraterone Acetate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 55
Total Number of Articles : 209
PubChem 9821849
Molecular Formula

C26H33NO2

SMILES

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

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

synonyms
  • Abiraterone acetate
  • 154229-18-2
  • Zytiga
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Properties
Property Value
MW 391.5 g/mol
HBD 0
HBA 3
Rotatable Bond Count 3
Exact Mass 391.251129295 g/mol
Monoisotopic Mass 391.251129295 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 739
xlogp 5.2
Topological Polar Surface Area 39.2