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Loperamide AC
SpectraBase Compound ID LRwUfHjSgm4
InChI InChI=1S/C31H35ClN2O3/c1-24(35)37-30(25-14-16-28(32)17-15-25)18-21-34(22-19-30)23-20-31(29(36)33(2)3,26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17H,18-23H2,1-3H3
InChIKey QDERTXANHMTDRE-UHFFFAOYSA-N
Mol Weight 519.1 g/mol
Molecular Formula C31H35ClN2O3
Exact Mass 518.233621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FODtHE0X2
Name Loperamide AC
Classification Antidiarrheal
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Exact Mass 518.233620692 u
Formula C31H35ClN2O3
InChI InChI=1S/C31H35ClN2O3/c1-24(35)37-30(25-14-16-28(32)17-15-25)18-21-34(22-19-30)23-20-31(29(36)33(2)3,26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17H,18-23H2,1-3H3
InChIKey QDERTXANHMTDRE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 519.085 g/mol
SMILES c1(ccc(cc1)Cl)C1(CCN(CC1)CCC(c1ccccc1)(c1ccccc1)C(=O)N(C)C)OC(C)=O
SPLASH splash10-000i-2290000000-c547e5d956d19a6a682c
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_1824