Metabolomics Structure Database

 
MW REGNO: 42722
Common Name:Alfuzosin
Systematic Name:N-{3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)(methyl)amino]propyl}oxolane-2-carboxamide
RefMet Name:Alfuzosin
Synonyms: [PubChem Synonyms]
Exact Mass:
389.2063 (neutral)    Calculate m/z:
Formula:C19H27N5O4
InChIKey:WNMJYKCGWZFFKR-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Diazanaphthalenes [C0004788]
ClassyFire subclass:Benzodiazines [C0004789]
ClassyFire direct parent:Quinazolinamines [C0002314]
MoNA MS spectra:View MS spectra
SMILES:CN(CCCNC(=O)C1CCCO1)c1nc2cc(c(cc2c(N)n1)OC)OC
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:2092
CHEBI ID:51141
HMDB ID:HMDB0014490
Chemspider ID:2008
EPA CompTox DB:DTXCID6028105
Plant Metabolite Hub(Pmhub):MS000001382

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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