Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53067
Common Name:	Chlorpromazine N-oxide
Systematic Name:	[3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine oxide
RefMet Name:	Chlorpromazine N-oxide
Synonyms:	2-chloro-10-(3'-dimethyloxidoaminopropyl)phenothiazine; Chlorpromazine N-oxide [PubChem Synonyms]
Exact Mass:	334.0907 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C17H19ClN2OS
InChIKey:	LFDFWIIFGRXCFR-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Benzothiazines [C0000309]
ClassyFire subclass:	Phenothiazines [C0000310]
ClassyFire direct parent:	Phenothiazines [C0000310]
SMILES:	C[N+](C)(CCCN1c2ccccc2Sc2ccc(cc12)Cl)[O-]
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	443037
CHEBI ID:	3648
HMDB ID:	HMDB0060573
KEGG ID:	C10966
Plant Metabolite Hub(Pmhub):	MS000022036

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y