Clozapine N-oxide

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Systematic / IUPAC Name: 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine

ID: Reference1995

Other Names: 5H-Dibenzo[b,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl), N-oxide;
8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,4]diazepine N-oxide

Formula: C18H19ClN4O

Class: Therapeutics/Prescription Drugs

Spectral Data

Clozapine N-oxide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/8/2015 1:28:34 PM
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Identificators

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/h2-7,12,21H,8-11H2,1H3
InChI Key WYRDWWAASBTJLM-UHFFFAOYSA-N
Canonical SMILES C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)[O-]
CAS 34233697
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Other Names 5H-Dibenzo[b,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl), N-oxide;
8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,4]diazepine N-oxide

In Other Databases

ChemSpider 2717
PubChem 2819