RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0050068
RefMet nameNitrendipine
Systematic name3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SynonymsPubChem Synonyms
Exact mass360.132136 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC18H20N2O6View other entries in RefMet with this formula
Molecular descriptors
Molfile43292 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
InChIKeyPVHUJELLJLJGLN-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC)C
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganoheterocyclic compounds
Main ClassHydropyridines
Sub ClassDihydropyridine carboxylic acids
Distribution of Nitrendipine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Nitrendipine
External Links
Pubchem CID4507
ChEBI ID7582
KEGG IDC07713
HMDB IDHMDB0015187
Chemspider ID4351
EPA CompToxDTXCID10209305
Spectral data for Nitrendipine standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo