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Chemical structure of Aripiprazole monohydrate

GB62281

Aripiprazole monohydrate

Also known as 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;hydrate

Aripiprazole monohydrate is a third-generation antipsychotic with a dopamine receptor-binding profile distinct from other second-generation antipsychotics, used in schizophrenia

ChemicalCAS851220-85-4MW466.4FormulaC23H29Cl2N3O3
CAS number
851220-85-4
Molecular weight
466.4
Formula
C23H29Cl2N3O3
Solubility
Soluble in DMSO
InChIKey
UXQBDXJXIVDBTF-UHFFFAOYSA-N
Catalogue number
GB62281
Brand
GLPBIO
Computed properties PubChem CID 11408688 · TPSA 45.8 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
45.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31

SMILES C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl.O

Computed descriptors from PubChem (CID 11408688), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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