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Chemical structure of 3'-Fluorobenzylspiperone maleate

GC15856

3'-Fluorobenzylspiperone maleate

Also known as (Z)-but-2-enedioic acid;3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

ligand for the D2 receptor

ChemicalCAS1135278-61-3MW619.67FormulaC30H31F2N3O2·C4H4O4
CAS number
1135278-61-3
Molecular weight
619.67
Formula
C30H31F2N3O2·C4H4O4
Solubility
<15·49mg/ml in DMSO
InChIKey
JURUFADWVGXLOY-BTJKTKAUSA-N
Catalogue number
GC15856
Brand
GLPBIO
Computed properties PubChem CID 24978532 · TPSA 118 Ų · H-bond donors 2 · H-bond acceptors 10
TPSA
118 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
45

SMILES C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC4=CC(=CC=C4)F)CCCC(=O)C5=CC=C(C=C5)F.C(=C\C(=O)O)\C(=O)O

Computed descriptors from PubChem (CID 24978532), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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