Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	42823
Common Name:	Chlorpromazine
Systematic Name:	[3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine
RefMet Name:	Chlorpromazine
Synonyms:	[PubChem Synonyms]
Exact Mass:	318.0957 (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:	C17H19ClN2S
InChIKey:	ZPEIMTDSQAKGNT-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Benzothiazines [C0000309]
ClassyFire subclass:	Phenothiazines [C0000310]
ClassyFire direct parent:	Phenothiazines [C0000310]
Massbank MS spectra:	View MS spectra
SMILES:	CN(C)CCCN1c2ccccc2Sc2ccc(cc12)Cl
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	2726
CHEBI ID:	3647
HMDB ID:	HMDB0014620
KEGG ID:	C06906
Chemspider ID:	2625
EPA CompTox DB:	DTXCID002808
Plant Metabolite Hub(Pmhub):	MS000001471

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