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Amlodipine 2ME
SpectraBase Compound ID Gnnjfey3b0c
InChI InChI=1S/C22H29ClN2O5/c1-6-30-22(27)20-17(13-29-12-11-25(3)4)24-14(2)18(21(26)28-5)19(20)15-9-7-8-10-16(15)23/h7-10,19,24H,6,11-13H2,1-5H3
InChIKey CKFHQENIUUZTIV-UHFFFAOYSA-N
Mol Weight 436.94 g/mol
Molecular Formula C22H29ClN2O5
Exact Mass 436.1765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bl42KmCXgXc
Name Amlodipine 2ME
Classification Pharmaceutical drug derivative
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 436.176499737 u
Formula C22H29ClN2O5
InChI InChI=1S/C22H29ClN2O5/c1-6-30-22(27)20-17(13-29-12-11-25(3)4)24-14(2)18(21(26)28-5)19(20)15-9-7-8-10-16(15)23/h7-10,19,24H,6,11-13H2,1-5H3
InChIKey CKFHQENIUUZTIV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 436.936 g/mol
Nominal Mass 436 u
Quality 745
Retention Index 3283
SMILES C1(C(=C(NC(=C1C(OC)=O)C)COCCN(C)C)C(OCC)=O)C1=C(C=CC=C1)Cl
SPLASH splash10-05i0-9656100000-d0c6a9822b0da48c5bd8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-ethyl 5-methyl 4-(2-chlorophenyl)-2-((2-(dimethylamino)ethoxy)methyl)-6-methyl-1,4-d\rihydropyridine-3,5-dicarboxylate
Technique GC/MS
Wiley ID DD2024_006252