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Amlodipine AC
SpectraBase Compound ID 7YKkEuRUPnU
InChI InChI=1S/C22H27ClN2O6/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/h6-9,19,25H,5,10-12H2,1-4H3,(H,24,26)
InChIKey MRDCCTCXJCVQFK-UHFFFAOYSA-N
Mol Weight 450.92 g/mol
Molecular Formula C22H27ClN2O6
Exact Mass 450.155764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2d0BWbF0Ua
Name Amlodipine AC
Classification Pharmaceutical drug derivative
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 450.155764291 u
Formula C22H27ClN2O6
InChI InChI=1S/C22H27ClN2O6/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/h6-9,19,25H,5,10-12H2,1-4H3,(H,24,26)
InChIKey MRDCCTCXJCVQFK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 450.919 g/mol
Nominal Mass 450 u
Quality 930
Retention Index 3334
SMILES C1(C(=C(NC(=C1C(OC)=O)C)COCCNC(=O)C)C(OCC)=O)C1=C(C=CC=C1)Cl
SPLASH splash10-000i-2395000000-8f5c01153eb3624b3621
Sample Comments Acetyl position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-ethyl 5-methyl 2-((2-(acetylamino)ethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Technique GC/MS
Wiley ID DD2024_007708