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Amlodipine ME
SpectraBase Compound ID BbLIksBKSCP
InChI InChI=1S/C21H27ClN2O5/c1-5-29-21(26)19-16(12-28-11-10-23-3)24-13(2)17(20(25)27-4)18(19)14-8-6-7-9-15(14)22/h6-9,18,23-24H,5,10-12H2,1-4H3
InChIKey BHQHUZXFSUAIGH-UHFFFAOYSA-N
Mol Weight 422.91 g/mol
Molecular Formula C21H27ClN2O5
Exact Mass 422.16085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgNKirLuA2t
Name Amlodipine ME
Classification Ca Antagonist
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Exact Mass 422.160849672 u
Formula C21H27ClN2O5
InChI InChI=1S/C21H27ClN2O5/c1-5-29-21(26)19-16(12-28-11-10-23-3)24-13(2)17(20(25)27-4)18(19)14-8-6-7-9-15(14)22/h6-9,18,23-24H,5,10-12H2,1-4H3
InChIKey BHQHUZXFSUAIGH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 422.909 g/mol
Related CAS Registry Number(s) 88150-42-9
SMILES C=1(C(C(C(=O)OCC)=C(NC1C)COCCNC)c1c(Cl)cccc1)C(=O)OC
SPLASH splash10-03di-2079000000-9ce2f4b8b42dd9858372
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4843