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N-Desmethyl Clozapine

CAT: 1106-BML-NS106-0025Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1106-BML-NS106-0025Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6104-71-8
Product Name Alternative
Norclozapine
Certification
RUO
Target
Serotonin receptor
Type
Ligand
Stability
As indicated on product label or CoA when stored as recommended.
Purity
≥99% (HPLC)
Solubility
Soluble in ethanol (25 mg/ml) or DMSO (>44 mg/ml) .
Molecular Formula
C 17 H 17 ClN 4
Molecular Weight
312.8
Shipping Conditions
Ambient Temperature
Storage Conditions
Ambient
Appearance
Yellow solid.
Identity
Determined by 1H-NMR.

Chemical Information

N-Desmethylclozapine

N-desmethylclozapine is a dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist. It has a role as a metabolite, a serotonergic antagonist and a delta-opioid receptor agonist. It is a member of piperazines, an organochlorine compound and a dibenzodiazepine.

CAS Number6104-71-8
PubChem CID135409468
IUPAC Name3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
Molecular FormulaC17H17ClN4
Molecular Weight312.8
XLogP2.6
Topological Polar Surface Area39.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity421
SMILES
C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
InChI
InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
InChIKey
JNNOSTQEZICQQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Desmethylclozapine
CAS: 6104-71-8
CID: 135409468
Formula: C17H17ClN4
MW: 312.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.8
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass312.1141743
Monoisotopic Mass312.1141743
Topological Polar Surface Area39.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity421
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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