SpectraBase Spectrum ID |
ItkwQvwnh7r |
Name |
Amlodipine-M/A (Dehydro) AC |
Classification |
Pharmaceutical drug metabolite, artifact |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
448.140114227 u |
Formula |
C22H25ClN2O6 |
InChI |
InChI=1S/C22H25ClN2O6/c1-5-31-22(28)20-17(12-30-11-10-24-14(3)26)25-13(2)18(21(27)29-4)19(20)15-8-6-7-9-16(15)23/h6-9H,5,10-12H2,1-4H3,(H,24,26) |
InChIKey |
DSKICIOIMBSNRV-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
448.903 g/mol |
Nominal Mass |
448 u |
Quality |
988 |
Retention Index |
3375 |
SMILES |
C=1(C(=C(N=C(C1C(OC)=O)C)COCCNC(=O)C)C(OCC)=O)C1=C(C=CC=C1)Cl |
SPLASH |
splash10-01p5-6497000000-2861dd9b32fdc875f300 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
3-ethyl 5-methyl 2-((2-(acetylamino)ethoxy)methyl)-4-(2-chlorophenyl)-6-methylpyridine-\r3,5-dicarboxylate |
Technique |
GC/MS |
Wiley ID |
DD2024_033323 |