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Amlodipine-M/A (Dehydro) AC
SpectraBase Compound ID DlxTDTjaW4V
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
Mol Weight 448.9 g/mol
Molecular Formula C22H25ClN2O6
Exact Mass 448.140114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmY5lH6tPFo
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 977
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 splash10-01p5-5397000000-e63f6c54ec764ad7b493
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_034062