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CHEBI:3648 - chlorpromazine N-oxide

ChEBI IDCHEBI:3648
ChEBI Namechlorpromazine N-oxide
Stars
ASCII Namechlorpromazine N-oxide
DefinitionAn organochlorine compound that is chlorpromazine in which the acyclic tertiary amino group has been converted into the corresponding N-oxide.
Last Modified1 February 2017
DownloadsMolfile
FormulaC17H19ClN2OS
Net Charge0
Average Mass334.872
Monoisotopic Mass334.09066
SMILESC[N+](C)([O-])CCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C17H19ClN2OS/c1-20(2,21)11-5-10-19-14-6-3-4-7-16(14)22-17-9-8-13(18)12-15(17)19/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyLFDFWIIFGRXCFR-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
chlorpromazine N-oxide (CHEBI:3648) has functional parent chlorpromazine (CHEBI:3647)
chlorpromazine N-oxide (CHEBI:3648) has role metabolite (CHEBI:25212)
chlorpromazine N-oxide (CHEBI:3648) is a organochlorine compound (CHEBI:36683)
chlorpromazine N-oxide (CHEBI:3648) is a phenothiazines (CHEBI:38093)
chlorpromazine N-oxide (CHEBI:3648) is a tertiary amine oxide (CHEBI:134363)
IUPAC Name 
[3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine oxide
Synonyms  Source
Chlorpromazine N-oxideKEGG COMPOUND
2-chloro-10-(3'-dimethyloxidoaminopropyl)phenothiazineChEBI
Manual XrefsDatabases
C10966KEGG COMPOUND
Registry NumbersSources
Reaxys:1223987Reaxys
CAS:1672-76-0KEGG COMPOUND
CAS:1672-76-0ChemIDplus
Citations