Metabolomics Structure Database

 
MW REGNO: 43262
Common Name:Guanfacine
Systematic Name:N-carbamimidoyl-2-(2,6-dichlorophenyl)acetamide
RefMet Name:Guanfacine
Synonyms: [PubChem Synonyms]
Exact Mass:
245.0123 (neutral)    Calculate m/z:
Formula:C9H9Cl2N3O
InChIKey:INJOMKTZOLKMBF-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Phenylacetamides [C0002363]
ClassyFire direct parent:Phenylacetamides [C0002363]
SMILES:c1cc(c(CC(=O)NC(=N)N)c(c1)Cl)Cl
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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