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Chemical structure of PD 168568 (hydrochloride)

GC49667

PD 168568 (hydrochloride)

Also known as 3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one;dihydrochloride

A dopamine D4 receptor antagonist

ChemicalCAS1782532-06-2MW422.4FormulaC22H27N3O • 2HCl
CAS number
1782532-06-2
Molecular weight
422.4
Formula
C22H27N3O • 2HCl
Solubility
DMSO： 100 mM,Water： 50 mM
InChIKey
RMNWLEGGYCVHFD-UHFFFAOYSA-N
Catalogue number
GC49667
Brand
GLPBIO
Computed properties PubChem CID 56972231 · TPSA 35.6 Ų · H-bond donors 3 · H-bond acceptors 3
TPSA
35.6 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
28

SMILES CC1=C(C=C(C=C1)N2CCN(CC2)CCC3C4=CC=CC=C4C(=O)N3)C.Cl.Cl

Computed descriptors from PubChem (CID 56972231), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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