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Clozapine N-oxide (CNO)

CAT: 0607-A3317-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3317-50Size:50 mg
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Description
Metabolite of clozapine, used in chemogenetics.
CAS Number
34233-69-7
Product Name Alternative
3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine
Field of Research
GPCR G protein 5-HT Receptor Neuroscience 5-HT Receptor
Purity
0.9832
Solubility
insoluble in EtOH; ≥17.15 mg/mL in DMSO; ≥49 mg/mL in H2O with gentle warming
Smiles
C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)[O-]
Molecular Formula
C18H19ClN4O
Molecular Weight
342.82
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

clozapine N-oxide

Clozapine N-oxide is a dibenzodiazepine.

CAS Number34233-69-7
PubChem CID135445691
IUPAC Name3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular FormulaC18H19ClN4O
Molecular Weight342.8
XLogP2.5
Topological Polar Surface Area45.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity491
SMILES
C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[O-]
InChI
InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
InChIKey
OGUCZBIQSYYWEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of clozapine N-oxide
CAS: 34233-69-7
CID: 135445691
Formula: C18H19ClN4O
MW: 342.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.8
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass342.1247389
Monoisotopic Mass342.1247389
Topological Polar Surface Area45.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C12292-1gCNO (Clozapine N-oxide)
TRC-C587520-50MGClozapine N-Oxide

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