N-desmethylclozapine

Description

N-desmethylclozapine · CAS 6104-71-8 · C17H17ClN4. UNII 1I9001LWY8. Dissociation Constants: 8.9.

Identification

CAS Registry Number	6104-71-8
PubChem CID	135409468
Molecular formula	C17H17ClN4
IUPAC name	3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
UNII (FDA)	1I9001LWY8

Computed Descriptors

Molecular Weight	312.8
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	312.1141743
Monoisotopic Mass	312.1141743
Topological Polar Surface Area	39.7
Heavy Atom Count	22
Formal Charge	0

Physical & Chemical Properties

Dissociation Constants	8.9

Physical description & handling notes

• 173.8 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

GHS Hazard Classification

Reported hazard statements	H302 (95.1%), H315 (97.6%), H319 (97.6%), H332 (95.1%), H335 (95.1%)

Documented Uses

• Pharmaceuticals -> Transformation products
• Investigated for use/treatment in schizophrenia and schizoaffective disorders.
• Norclozapine is a known transformation product of Clozapine.
• Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.
• N-Desmethylclozapine has known human metabolites that include Desmethylclozapine N-glucuronide.
• N-Desmethylclozapine is a known human metabolite of clozapine.

Synonyms

N-Desmethylclozapine; Norclozapine; 6104-71-8; Desmethylclozapine; NDMC; 8-chloro-11-(piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine; 8-Chloro-11-(1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine; 1I9001LWY8; 8-Chloro-11-(1-piperazinyl)-5H-dibenzo[b,E][1,4]diazepine; DTXSID0042616; CHEBI:64050; 8-chloro-11-piperazin-1-yl-5H-dibenzo(B,E)(1,4)diazepine; 8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]diazepine; 3-chloro-6-piperazin-1-yl-5H-benzo(c)(1,5)benzodiazepine; 3-chloro-6-piperazin-1-yl-5H-benzo[c][1,5]benzodiazepine; 8-chloro-11-(piperazin-1-yl)-5H-dibenzo(b,e)(1,4)diazepine

Frequently Asked Questions

What are the CAS number and molecular formula of N-desmethylclozapine?

CAS 6104-71-8; molecular formula C17H17ClN4; molecular weight — g/mol.

What other names is N-desmethylclozapine known by?

N-Desmethylclozapine, Norclozapine, 6104-71-8, Desmethylclozapine, NDMC, 8-chloro-11-(piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine.

Is N-desmethylclozapine classified as hazardous?

Hazard statements reported: H302, H315, H319, H332, H335.

What are the key physical properties of N-desmethylclozapine?

Dissociation Constants: 8.9.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.