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Chemical structure of Aripiprazole-d8

GC68687

Aripiprazole-d8

Also known as 7-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

Aripiprazole-d8 is the deuterated form of Aripiprazole

ChemicalCAS1089115-06-9MW456.43FormulaC23H19D8Cl2N3O2
CAS number
1089115-06-9
Molecular weight
456.43
Formula
C23H19D8Cl2N3O2
Solubility
DMSO ： 10 mg/mL (21·91 mM; Need ultrasonic)
InChIKey
CEUORZQYGODEFX-FUEQIQQISA-N
Catalogue number
GC68687
Brand
GLPBIO
Computed properties PubChem CID 25145107 · XLogP 4.6 · TPSA 44.8 Ų · H-bond donors 1
XLogP
4.6
TPSA
44.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
30

SMILES [2H]C1(C(N(C(C(N1CCCCOC2=CC3=C(CCC(=O)N3)C=C2)([2H])[2H])([2H])[2H])C4=C(C(=CC=C4)Cl)Cl)([2H])[2H])[2H]

Computed descriptors from PubChem (CID 25145107), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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