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Lercanidipine
SpectraBase Compound ID 1zHeLJOYGHA
InChI InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3
InChIKey ZDXUKAKRHYTAKV-UHFFFAOYSA-N
Mol Weight 611.7 g/mol
Molecular Formula C36H41N3O6
Exact Mass 611.299536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIur4zPRrVI
Name Lercanidipine
CAS Registry Number 100427-26-7
Classification Pharmaceutical drug, calcium antagonist
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 611.299536046 u
Formula C36H41N3O6
InChI InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3
InChIKey ZDXUKAKRHYTAKV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 611.739 g/mol
Nominal Mass 611 u
Quality 946
SMILES C1(C(=C(NC(=C1C(OC)=O)C)C)C(OC(CN(CCC(C=1C=CC=CC1)C1=CC=CC=C1)C)(C)C)=O)C1=CC(=CC=C1)[N+](=O)[O-]
SPLASH splash10-052r-5490000000-0bcf9f98d69774c7a926
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Methyl [1-(3,3-diphenylpropyl-methyl-amino)-2-methyl-propan-2-yl]2,6-dimethyl-4-(3-nitrophenyl)-\r1,4-dihydropyridine-3,5-dicarboxylate
Technique DI/MS
Wiley ID DD2024_001813