Aripiprazole

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 210
Total Number of Articles : 451
PubChem 60795
Molecular Formula

C23H27Cl2N3O2

SMILES

C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)

synonyms
  • Aripiprazole
  • 129722-12-9
  • Abilify
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Properties
Property Value
MW 448.4 g/mol
HBD 1
HBA 4
Rotatable Bond Count 7
Exact Mass 447.1480325 g/mol
Monoisotopic Mass 447.1480325 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 559
xlogp 4.6
Topological Polar Surface Area 44.8