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Chemical structure of Abaperidone

GC31055

Abaperidone

Also known as 7-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(hydroxymethyl)chromen-4-one

Abaperidone is a potent antagonist of 5-HT2A?receptor and dopamine D2 receptor with IC50s of 6·2 and 17 nM

ChemicalCAS183849-43-6MW452.47FormulaC25H25FN2O5
CAS number
183849-43-6
Molecular weight
452.47
Formula
C25H25FN2O5
Solubility
Soluble in DMSO
InChIKey
ICAXEUYZCLRXKY-UHFFFAOYSA-N
Catalogue number
GC31055
Brand
GLPBIO
Computed properties PubChem CID 3037308 · XLogP 3.7 · TPSA 85 Ų · H-bond donors 1
XLogP
3.7
TPSA
85 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
33

SMILES C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCOC4=CC5=C(C=C4)C(=O)C(=CO5)CO

Computed descriptors from PubChem (CID 3037308), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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