Metabolomics Structure Database

 
MW REGNO: 49977
Common Name:Benzatropine
Systematic Name:(3-endo)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane
RefMet Name:Benzatropine
Synonyms:3alpha-(diphenylmethoxy)-1alphaH,5alphaH-tropane; 3alpha-(diphenylmethoxy)tropane; 3alpha-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; 3endo-benzhydryloxytropane; Benztropine; benzhydryl 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ether; tropine benzohydryl ether [PubChem Synonyms]
Exact Mass:
307.1936 (neutral)    Calculate m/z:
Formula:C21H25NO
InChIKey:GIJXKZJWITVLHI-PMOLBWCYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Diphenylmethanes [C0000369]
ClassyFire direct parent:Diphenylmethanes [C0000369]
SMILES:CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:1201549
CHEBI ID:3048
HMDB ID:HMDB0014390
Plant Metabolite Hub(Pmhub):MS000002401

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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