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Chemical structure of CGP 25454A

GC30995

CGP 25454A

Also known as 4-chloro-5-cyano-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride

CGP 25454A is a novel and selective presynaptic dopamine autoreceptor antagonist

ChemicalCAS104391-26-6MW346.25FormulaC15H21Cl2N3O2
CAS number
104391-26-6
Molecular weight
346.25
Formula
C15H21Cl2N3O2
Solubility
DMSO ： ≥ 3·5 mg/mL (10·11 mM)
InChIKey
ZETCQNUMZFZSLJ-UHFFFAOYSA-N
Catalogue number
GC30995
Brand
GLPBIO
Computed properties PubChem CID 9819590 · TPSA 65.4 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
65.4 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
22

SMILES CCN(CC)CCNC(=O)C1=C(C=C(C(=C1)C#N)Cl)OC.Cl

Computed descriptors from PubChem (CID 9819590), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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