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Chemical structure of PD 168077 maleate

GC17634

PD 168077 maleate

Also known as (Z)-but-2-enedioic acid;N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide

D4 dopamine receptor agonist

ChemicalCAS630117-19-0MW450.49FormulaC20H22N4O·C4H4O4
CAS number
630117-19-0
Molecular weight
450.49
Formula
C20H22N4O·C4H4O4
Solubility
＜11·26mg/ml in ethanol; ＜45·05mg/ml in DMSO
InChIKey
NAEUGRPISCANHO-BTJKTKAUSA-N
Catalogue number
GC17634
Brand
GLPBIO
Computed properties PubChem CID 11957665 · TPSA 134 Ų · H-bond donors 3 · H-bond acceptors 8
TPSA
134 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33

SMILES CC1=CC(=CC=C1)C(=O)NCN2CCN(CC2)C3=CC=CC=C3C#N.C(=C\C(=O)O)\C(=O)O

Computed descriptors from PubChem (CID 11957665), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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