Metabolomics Structure Database

 
MW REGNO: 43229
Common Name:Dipyridamole
Systematic Name:2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
RefMet Name:Dipyridamole
Synonyms: [PubChem Synonyms]
Exact Mass:
504.3173 (neutral)    Calculate m/z:
Formula:C24H40N8O4
InChIKey:IZEKFCXSFNUWAM-UHFFFAOYSA-N
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Amines [C0002449]
ClassyFire direct parent:Dialkylarylamines [C0003901]
MoNA MS spectra:View MS spectra
SMILES:C1CCN(CC1)c1c2c(c(nc(n2)N(CCO)CCO)N2CCCCC2)nc(n1)N(CCO)CCO
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:3108
CHEBI ID:4653
HMDB ID:HMDB0015110
Chemspider ID:2997
EPA CompTox DB:DTXCID4020668
Plant Metabolite Hub(Pmhub):MS000001524

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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