Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	42790
Common Name:	Prochlorperazine
Systematic Name:	2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine
RefMet Name:	Prochlorperazine
Synonyms:	[PubChem Synonyms]
Exact Mass:	373.1379 (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:	C20H24ClN3S
InChIKey:	WIKYUJGCLQQFNW-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Benzothiazines [C0000309]
ClassyFire subclass:	Phenothiazines [C0000310]
ClassyFire direct parent:	Phenothiazines [C0000310]
MoNA MS spectra:	View MS spectra
SMILES:	CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)Cl)CC1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	4917
CHEBI ID:	8435
HMDB ID:	HMDB0014577
KEGG ID:	C07403
Chemspider ID:	4748
EPA CompTox DB:	DTXCID203514
Plant Metabolite Hub(Pmhub):	MS000001763

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