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Chemical structure of Dehydroaripiprazole

GC39705

Dehydroaripiprazole

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

Dehydroaripiprazole (OPC-14857) is an active metabolite of Aripiprazole

ChemicalCAS129722-25-4MW446.37FormulaC23H25Cl2N3O2
CAS number
129722-25-4
Molecular weight
446.37
Formula
C23H25Cl2N3O2
Solubility
DMSO ： 20 mg/mL (44·81 mM; ultrasonic and warming and heat to 60°C)
InChIKey
CDONPRYEWWPREK-UHFFFAOYSA-N
Catalogue number
GC39705
Brand
GLPBIO
Computed properties PubChem CID 10114519 · XLogP 4.9 · TPSA 44.8 Ų · H-bond donors 1
XLogP
4.9
TPSA
44.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
30

SMILES C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C(C(=CC=C4)Cl)Cl

Computed descriptors from PubChem (CID 10114519), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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