Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43238
Common Name:	Rivastigmine
Systematic Name:	3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate
RefMet Name:	Rivastigmine
Synonyms:	[PubChem Synonyms]
Exact Mass:	250.1681 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C14H22N2O2
InChIKey:	XSVMFMHYUFZWBK-NSHDSACASA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Phenoxy compounds [C0004742]
ClassyFire direct parent:	Phenoxy compounds [C0004742]
MoNA MS spectra:	View MS spectra
SMILES:	CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	77991
CHEBI ID:	8874
HMDB ID:	HMDB0015124
KEGG ID:	C11766
Chemspider ID:	70377
EPA CompTox DB:	DTXCID90197236
Plant Metabolite Hub(Pmhub):	MS000002791

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