RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0050068 | |
|---|---|---|
| RefMet name | Nitrendipine | |
| Systematic name | 3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 360.132136 (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 |
| Formula | C18H20N2O6 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 43292 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=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 | |
| InChIKey | PVHUJELLJLJGLN-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | CCOC(=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 Class | Organoheterocyclic compounds | |
| Main Class | Hydropyridines | |
| Sub Class | Dihydropyridine carboxylic acids | |
| Distribution of Nitrendipine 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 Nitrendipine | |
| External Links | ||
| Pubchem CID | 4507 | |
| ChEBI ID | 7582 | |
| KEGG ID | C07713 | |
| HMDB ID | HMDB0015187 | |
| Chemspider ID | 4351 | |
| EPA CompTox | DTXCID10209305 | |
| Spectral data for Nitrendipine standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
