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Chemical structure of Ocaperidone

GC31173

Ocaperidone

Also listed as Ocaperidone (R79598)

Ocaperidone (R79598) is an effective antipsychotic agent, acting as a potent 5-HT2 and dopamine D2 antagonist, and a 5-HT1A agonist, with Kis of 0·14 nM, 0·46 nM, 0·75 nM, 1·6 nM and 5·4 nM for 5-HT2, a1-adrenergic receptor, dopamine D2, histamine H1 and a2-adrenergic receptor, respectively, and a pEC50 and pKi of 7·60 and 8·08 for h5-HT1A

ChemicalCAS129029-23-8MW420.48FormulaC24H25FN4O2
CAS number
129029-23-8
Molecular weight
420.48
Formula
C24H25FN4O2
Solubility
DMSO ： 16·67 mg/mL (39·65 mM; Need ultrasonic)
InChIKey
ZZQNEJILGNNOEP-UHFFFAOYSA-N
Catalogue number
GC31173
Brand
GLPBIO
Computed properties PubChem CID 71351 · XLogP 3.3 · TPSA 61.9 Ų · H-bond donors 0
XLogP
3.3
TPSA
61.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31

SMILES CC1=CC=CN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C

Computed descriptors from PubChem (CID 71351), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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