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Chemical structure of JNJ-37822681 dihydrochloride

GC36370

JNJ-37822681 dihydrochloride

Also known as N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine;dihydrochloride

JNJ-37822681 dihydrochloride is a potent, specific, centrally active, fast-dissociating dopamine D2 receptor antagonist with a moderate binding affinity for the dopamine D2L receptor (Ki =158 nM), which has potential for the treatment of schizophrenia and bipolar disorder

ChemicalCAS2108806-02-4MW445.26FormulaC17H19Cl2F5N4
CAS number
2108806-02-4
Molecular weight
445.26
Formula
C17H19Cl2F5N4
Solubility
DMSO ： 33·33 mg/mL (74·86 mM; Need ultrasonic)
InChIKey
UOLHGUUKFNZTNS-UHFFFAOYSA-N
Catalogue number
GC36370
Brand
GLPBIO
Computed properties PubChem CID 91826482 · TPSA 41.1 Ų · H-bond donors 3 · H-bond acceptors 9
TPSA
41.1 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
28

SMILES C1CN(CCC1NC2=NN=C(C=C2)C(F)(F)F)CC3=CC(=C(C=C3)F)F.Cl.Cl

Computed descriptors from PubChem (CID 91826482), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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