Metabolomics Structure Database

 
MW REGNO: 42539
Common Name:8-Hydroxycarvedilol
Systematic Name:5-(2-hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propoxy)-9H-carbazol-1-ol
RefMet Name:8-Hydroxycarvedilol
Synonyms: [PubChem Synonyms]
Exact Mass:
422.1842 (neutral)    Calculate m/z:
Formula:C24H26N2O5
InChIKey:GPPVNZVFGNMPNR-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Indoles and derivatives [C0000211]
ClassyFire subclass:Carbazoles [C0000210]
ClassyFire direct parent:Carbazoles [C0000210]
SMILES:COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3c(cccc3O)c21
Studies:Available studies (via RefMet name)

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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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