Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67709
Common Name:	Phendimetrazine
Systematic Name:	(2S,3S)-3,4-dimethyl-2-phenyl-morpholine
RefMet Name:	Phendimetrazine
Synonyms:	Adphen (base); Fendimetrazina; Phendimetrazinum; Mephenmetrazine; Antapentan [PubChem Synonyms]
Exact Mass:	191.1310 (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:	C12H17NO
InChIKey:	MFOCDFTXLCYLKU-CMPLNLGQSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Oxazinanes [C0000107]
ClassyFire subclass:	Morpholines [C0000392]
ClassyFire direct parent:	Phenylmorpholines [C0000370]
MoNA MS spectra:	View MS spectra
SMILES:	C[C@H]1[C@H](c2ccccc2)OCCN1C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	30487
HMDB ID:	HMDB0015519
KEGG ID:	C07904
EPA CompTox DB:	DTXCID103447
Plant Metabolite Hub(Pmhub):	MS000001811

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