Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67840
Common Name:	Rilmenidine
Systematic Name:	N-(dicyclopropylmethyl)-4,5-dihydrooxazol-2-amine
RefMet Name:	Rilmenidine
Synonyms:	Oxaminozoline; Hyperium; Rilmenidine [INN]; Rilmenidia [Spanish]; Rilmenidinum [Latin] [PubChem Synonyms]
Exact Mass:	180.1263 (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:	C10H16N2O
InChIKey:	CQXADFVORZEARL-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Azolines [C0002490]
ClassyFire subclass:	Oxazolines [C0000084]
ClassyFire direct parent:	Oxazolines [C0000084]
SMILES:	C1CC1C(C1CC1)NC1=NCCO1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	68712
HMDB ID:	HMDB0257232
KEGG ID:	C11120
EPA CompTox DB:	DTXCID1025194
Plant Metabolite Hub(Pmhub):	MS000003465

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