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Aripiprazole

CAT: 0013-GTR19163908-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163908-01Size:100 mg
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Description
Aripiprazole (Abilify) is a human 5-HT1A receptor partial agonist with a Ki of 4.2 nM. (In Vitro) :Aripiprazole potently activates D2 receptor-mediated inhibition of cAMP accumulation.Aripiprazole shows a greater anti-inflammatory effect on TNF-α, IL-13, IL-17α and fractalkine. (In Vivo) :Aripiprazole (0-3 mg/kg, IP, daily) shows some anxiolytic properties.
CAS Number
129722-12-9
Product Name Alternative
OPC 31 | OPC 14597
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: 90 mg/mL (200.71 mM)
Smiles
C1CC (=O) NC2=C1C=CC (=C2) OCCCCN3CCN (CC3) C4=C (C (=CC=C4) Cl) Cl
Molecular Formula
C23H27Cl2N3O2
Molecular Weight
448.39
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
7-[4-[4- (2,3-dichlorophenyl) piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

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

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