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CHEBI:145225 - promazine sulfoxide

ChEBI IDCHEBI:145225
ChEBI Namepromazine sulfoxide
Stars
DefinitionA member of the class of phenothiazines that is promazine carrying an oxo group at position 5. It is a metabolite of the anti-psychotic medication, chlorpromazine.
Last Modified7 November 2019
Submittermwilliams
DownloadsMolfile
FormulaC17H20N2OS
Net Charge0
Average Mass300.427
Monoisotopic Mass300.12963
SMILESCN(C)CCCN1c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C17H20N2OS/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)21(20)17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyKSHDHDWHIWBNHA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
promazine sulfoxide (CHEBI:145225) has functional parent promazine (CHEBI:8459)
promazine sulfoxide (CHEBI:145225) has role drug metabolite (CHEBI:49103)
promazine sulfoxide (CHEBI:145225) is a phenothiazines (CHEBI:38093)
promazine sulfoxide (CHEBI:145225) is a sulfoxide (CHEBI:22063)
promazine sulfoxide (CHEBI:145225) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N,N-dimethyl-3-(5-oxido-10H-phenothiazin-10-yl)propan-1-amine
Synonyms  Source
10-[3-(dimethylamino)propyl]-5λ4-phenothiazin-5(10H)-oneIUPAC
promazine 5-sulfoxideChEBI
promazine sulphoxideChEBI
3-(10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine S-oxideChEBI
10-[3-(dimethylamino)propyl]-10H-phenothiazine 5-oxideChEBI
N,N-dimethyl-10H-phenothiazine-10-propanamine 5-oxideChEBI
Manual XrefsDatabases
HMDB0013938HMDB
Registry NumbersSources
CAS:146-21-4NIST Chemistry WebBook
Citations