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ChEBI
> Main
CHEBI:3648 - chlorpromazine
N
-oxide
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ChEBI Name
chlorpromazine
N
-oxide
ChEBI ID
CHEBI:3648
ChEBI ASCII Name
chlorpromazine N-oxide
Definition
An organochlorine compound that is chlorpromazine in which the acyclic tertiary amino group has been converted into the corresponding
N
-oxide.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C17H19ClN2OS
Net Charge
0
Average Mass
334.86434
Monoisotopic Mass
334.09066
InChI
InChI=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
InChIKey
LFDFWIIFGRXCFR-UHFFFAOYSA-N
SMILES
C[N+](C)([O-])CCCN1c2ccccc2Sc2ccc(Cl)cc12
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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-10
H
-phenothiazin-10-yl)propyl]dimethylamine oxide
Synonyms
Sources
2-chloro-10-(3'-dimethyloxidoaminopropyl)phenothiazine
ChEBI
Chlorpromazine N-oxide
KEGG COMPOUND
Manual Xref
Database
C10966
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1223987
Beilstein Registry Number
Beilstein
1223987
Reaxys Registry Number
Reaxys
1672-76-0
CAS Registry Number
KEGG COMPOUND
1672-76-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
13893306
PubMed citation
Europe PMC
1763519
PubMed citation
Europe PMC
2327102
PubMed citation
Europe PMC
3266695
PubMed citation
Europe PMC
Last Modified
01 February 2017