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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 BZxaHKZWuS3
Name Amlodipine AC
Classification Ca Antagonist
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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
Related CAS Registry Number(s) 88150-42-9
SMILES C=1(C(C(C(=O)OCC)=C(NC1C)COCCNC(=O)C)c1c(Cl)cccc1)C(=O)OC
SPLASH splash10-000i-6697000000-5d0827551d4cdd48139f
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.
Sample Preparation Procedure Detected: U+UHYAC
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_4844