Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	87124
Common Name:	Norchlorpromazine
Systematic Name:	3-(2-chlorophenothiazin-10-yl)-N-methyl-propan-1-amine
RefMet Name:	Norchlorpromazine
Synonyms:	Demonomethylchlorpromazine [PubChem Synonyms]
Exact Mass:	304.0801 (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:	C16H17ClN2S
InChIKey:	YHFXGBOUSIKGMZ-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Benzothiazines [C0000309]
ClassyFire subclass:	Phenothiazines [C0000310]
ClassyFire direct parent:	Phenothiazines [C0000310]
SMILES:	CNCCCN1c2ccccc2Sc2ccc(cc12)Cl
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	62875
CHEBI ID:	125597
HMDB ID:	HMDB0061135
Chemspider ID:	56605
EPA CompTox DB:	DTXCID0076122

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