Metabolomics Structure Database

 
MW REGNO: 43306
Common Name:Promethazine
Systematic Name:dimethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine
RefMet Name:Promethazine
Synonyms: [PubChem Synonyms]
Exact Mass:
284.1347 (neutral)    Calculate m/z:
Formula:C17H20N2S
InChIKey:PWWVAXIEGOYWEE-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:CC(CN1c2ccccc2Sc2ccccc12)N(C)C
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:4927
CHEBI ID:8461
HMDB ID:HMDB0015202
KEGG ID:C07404
Chemspider ID:4758
EPA CompTox DB:DTXCID803518
Plant Metabolite Hub(Pmhub):MS000002410

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

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