SpectraBase Spectrum ID |
JIq5PQ3E4uW |
Name |
Nitrendipine-A (-2H) |
Classification |
Pharmaceutical drug, coronary vasodilator |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
358.116486302 u |
Formula |
C18H18N2O6 |
InChI |
InChI=1S/C18H18N2O6/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/h6-9H,5H2,1-4H3 |
InChIKey |
YEHVABIPGJLMET-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
358.350 g/mol |
Nominal Mass |
358 u |
Quality |
997 |
Retention Index |
2746 |
SMILES |
C=1(C(=C(N=C(C1C(OC)=O)C)C)C(OCC)=O)C1=CC(=CC=C1)[N+](=O)[O-] |
SPLASH |
splash10-03ef-1597000000-7ebc0f21043f58ff821e |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate |
Technique |
GC/MS |
Wiley ID |
DD2024_024739 |