Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43072
Common Name:	Propiomazine
Systematic Name:	1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one
RefMet Name:	Propiomazine
Synonyms:	[PubChem Synonyms]
Exact Mass:	340.1609 (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:	C20H24N2OS
InChIKey:	UVOIBTBFPOZKGP-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:	CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	4940
CHEBI ID:	8491
HMDB ID:	HMDB0014915
KEGG ID:	C07405
Chemspider ID:	4771
EPA CompTox DB:	DTXCID903520
Plant Metabolite Hub(Pmhub):	MS000004534

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