chempirical

Aripiprazole

C23H27Cl2N3O2CAS 129722-12-9448.39 g/mol

Open in Covalent MOL file
OHNONNClCl
Aryl halideEtherTertiary amine

Properties

Molecular formula
C23H27Cl2N3O2
Molar mass
448.39 g/mol
Exact mass
447.1480 Da
Melting point
109–111 °C
logP
5.51Crippen estimate
Polar surface area
48.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
7

Identifiers

CAS number
129722-12-9
SMILES
OC1=Nc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2CC1
InChIKey
CEUORZQYGODEFX-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all
  • 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-
  • 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone
  • OPC 14597
  • OPC 31
  • 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril
  • Abilitat
  • Abilify
  • Arpizol
  • Asprito
  • Pripiprazole
  • Aripiperazole
  • Aripirazole
  • Aripiprazol
  • Aristab
  • Biopiprazole
  • AZ 1
  • AZ 2
  • AZ 3
  • AZ 4

Work with Aripiprazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-(4-Chlorobutoxy)-3,4-dihydro-2(1H)-quinolinone120004-79-758 % similar 7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone129722-34-554 % similar Dehydroaripiprazole129722-25-453 % similar Aripiprazole lauroxil1259305-29-752 % similar Cariprazine839712-12-839 % similar Brexpiprazole913611-97-937 % similar 7-Hydroxy-3,4-dihydro-2(1H)-quinolinone22246-18-036 % similar Roxatidine78273-80-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook