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Gallopamil-M (O-demethyl-) AC
SpectraBase Compound ID EOazkkavdRX
InChI InChI=1S/C29H40N2O6/c1-20(2)29(19-30,23-17-26(35-7)28(36-8)27(18-23)37-21(3)32)13-9-14-31(4)15-12-22-10-11-24(33-5)25(16-22)34-6/h10-11,16-18,20H,9,12-15H2,1-8H3
InChIKey FTLCUGCAKBNCDL-UHFFFAOYSA-N
Mol Weight 512.6 g/mol
Molecular Formula C29H40N2O6
Exact Mass 512.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JV3vdWOUJLD
Name Gallopamil-M (O-demethyl-) AC
Classification Ca Antagonist
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 512.288637010 u
Formula C29H40N2O6
InChI InChI=1S/C29H40N2O6/c1-20(2)29(19-30,23-17-26(35-7)28(36-8)27(18-23)37-21(3)32)13-9-14-31(4)15-12-22-10-11-24(33-5)25(16-22)34-6/h10-11,16-18,20H,9,12-15H2,1-8H3
InChIKey FTLCUGCAKBNCDL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 512.647 g/mol
SMILES c1(cc(cc(c1OC)OC)C(CCCN(CCc1cc(c(OC)cc1)OC)C)(C#N)C(C)C)OC(C)=O
SPLASH splash10-0900-5319000000-e4dc717c7b25cc1eb7b7
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_1927