Products for Research Use Only
RegisterLogin

Aripiprazole

CAT: 1299-RM-A181600-04Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-A181600-04Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
129722-12-9
Synonyms
7-[4-[4- (2,3-Dichlorophenyl) -1-piperazinyl]butoxy]-3,4-dihydro-2 (1H) -quinolinone
Molecular Formula
C23H27Cl2N3O2
Molecular Weight
448.39
Target Alternative Name
Aripiprazole
Product Name Synonym
7-[4-[4- (2,3-Dichlorophenyl) -1-piperazinyl]butoxy]-3,4-dihydro-2 (1H) -quinolinone

Chemical Information

Aripiprazole

Aripiprazole is an N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders. It has a role as a serotonergic agonist, a H1-receptor antagonist, a drug metabolite and a second generation antipsychotic. It is a dichlorobenzene, a quinolone, an aromatic ether, a N-alkylpiperazine, a N-arylpiperazine and a delta-lactam.

CAS Number129722-12-9
PubChem CID60795
IUPAC Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Molecular FormulaC23H27Cl2N3O2
Molecular Weight448.4
XLogP4.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity559
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)
InChIKey
CEUORZQYGODEFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aripiprazole
CAS: 129722-12-9
CID: 60795
Formula: C23H27Cl2N3O2
MW: 448.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.4
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass447.1480325
Monoisotopic Mass447.1480325
Topological Polar Surface Area44.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
259688-01Aripiprazole

Popular Products