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Chemical structure of Clozapine N-oxide (hydrochloride)

GC43284

Clozapine N-oxide (hydrochloride)

Also known as 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine;dihydrochloride

Clozapine N-oxide is a major metabolite of clozapine and an activator of designer receptors exclusively activated by designer drugs (DREADDs) derived from human muscarinic acetylcholine receptors (EC50s = 16·7, 323, 17·4, 18·3, and 18·7 nM for PASMCs expressing hM1-5D receptors, respectively)

ChemicalCAS2250025-93-3MW415.74FormulaC18H19ClN4O•2HCl
CAS number
2250025-93-3
Molecular weight
415.74
Formula
C18H19ClN4O•2HCl
Solubility
DMF： 25 mg/ml,DMSO： 25 mg/ml,Ethanol： 25 mg/ml,PBS (pH 7·2)： 10 mg/ml
InChIKey
MBRGKRXDVKTUPT-UHFFFAOYSA-N
Catalogue number
GC43284
Brand
GLPBIO
Computed properties PubChem CID 137187247 · TPSA 45.7 Ų · H-bond donors 3 · H-bond acceptors 3
TPSA
45.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
26

SMILES C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[O-].Cl.Cl

Computed descriptors from PubChem (CID 137187247), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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