RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200331
RefMet name	Amrinone
Systematic name	3-amino-5-(pyridin-4-yl)-1,2-dihydropyridin-2-one
Synonyms	PubChem Synonyms
Exact mass	187.074562 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C10H9N3O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	43556 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	RNLQIBCLLYYYFJ-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cnccc1c1cc(c(=O)[nH]c1)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Pyridines
Sub Class	Bipyridines and oligopyridines
Distribution of Amrinone in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Amrinone
External Links
Pubchem CID	3698
ChEBI ID	2686
KEGG ID	C13594
HMDB ID	HMDB0015496
Chemspider ID	3570
EPA CompTox	DTXCID10810238