Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	42766
Common Name:	Dexbrompheniramine
Systematic Name:	[(3S)-3-(4-bromophenyl)-3-(pyridin-2-yl)propyl]dimethylamine
RefMet Name:	Brompheniramine
Synonyms:	[PubChem Synonyms]
Exact Mass:	318.0732 (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:	C16H19BrN2
InChIKey:	ZDIGNSYAACHWNL-HNNXBMFYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Pyridines and derivatives [C0000089]
ClassyFire subclass:	Pheniramines [C0000184]
ClassyFire direct parent:	Pheniramines [C0000184]
MoNA MS spectra:	View MS spectra
SMILES:	CN(C)CC[C@@H](c1ccc(cc1)Br)c1ccccn1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	16960
CHEBI ID:	59269
HMDB ID:	HMDB0014549
Chemspider ID:	16068
EPA CompTox DB:	DTXCID502691

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