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Aripiprazole lauroxil

CAT: 0957-S5707-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0957-S5707-1gSize:1 g
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CAS Number
1259305-29-7
Synonyms
Aristada
Target
Dopamine Receptor
Applications
Neuronal Signaling
Molecular Formula
C36H51Cl2N3O4
Additionnal Information
Aripiprazole lauroxil (Aristada) is an extended-release prodrug of aripiprazole designed for intramuscular injection. It acts as a dopamine-serotonin system stabilizer, with a potent partial agonist for dopamine D2 and serotonin 5-HT1A receptors while an antagonist for serotonin 5-HT2A receptors.

Chemical Information

Aripiprazole Lauroxil

Aripiprazole lauroxil is a dodecanoate ester obtained by formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-2-oxo-3,4-dihydroquinolin-1(2H)-yl]methanol. A prodrug for aripiprazole, it is used for treatment of schizophrenia. It has a role as a serotonergic agonist, a H1-receptor antagonist, a prodrug and a second generation antipsychotic. It is a dichlorobenzene, a quinolone, an aromatic ether, a N-alkylpiperazine, a N-arylpiperazine, a delta-lactam and a dodecanoate ester.

CAS Number1259305-29-7
PubChem CID49831411
IUPAC Name[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl dodecanoate
Molecular FormulaC36H51Cl2N3O4
Molecular Weight660.7
XLogP10
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count20
Heavy Atom Count45
Formal Charge0
Complexity858
SMILES
CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C36H51Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-16-35(43)45-28-41-33-27-30(19-17-29(33)18-20-34(41)42)44-26-12-11-21-39-22-24-40(25-23-39)32-15-13-14-31(37)36(32)38/h13-15,17,19,27H,2-12,16,18,20-26,28H2,1H3
InChIKey
DDINXHAORAAYAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aripiprazole Lauroxil
CAS: 1259305-29-7
CID: 49831411
Formula: C36H51Cl2N3O4
MW: 660.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight660.7
XLogP310
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count20
Exact Mass659.3256625
Monoisotopic Mass659.3256625
Topological Polar Surface Area62.3 Ų
Heavy Atom Count45
Formal Charge0
Complexity858
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

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