Aripiprazole Lauroxil
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl dodecanoate
Molecular Identity
Aripiprazole Lauroxil
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl dodecanoate
PubChem CID: 49831411
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.
2D Structure
Properties
C36H51Cl2N3O4
Molecular Formula
660.70
Molecular Weight
g/mol
659.3257
Exact Mass
Da
10
XLogP
Above Lipinski threshold
62.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
858
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)ClIsomeric SMILES
SMILES: CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)ClSynonyms(20)
Aripiprazole lauroxil1259305-29-7AristadaRDC-3317ALKS 9072Aristada initioALKS 9070RDC 3317ALKS-9070ALKS-9072RDC3317B786J7A343CHEBI:90930DTXSID60154997(7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinolin-1(2H)-yl)methyl dodecanoate
Data from PubChem (NCBI)
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Trials and conditions connected to Aripiprazole Lauroxil
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