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Loperamide -H2O
SpectraBase Compound ID 5EKLt63q7W3
InChI InChI=1S/C29H31ClN2O/c1-31(2)28(33)29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)19-22-32-20-17-24(18-21-32)23-13-15-27(30)16-14-23/h3-17H,18-22H2,1-2H3
InChIKey UUHAGHSPKICYQY-UHFFFAOYSA-N
Mol Weight 459.03 g/mol
Molecular Formula C29H31ClN2O
Exact Mass 458.212491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2alFQekAuu
Name Loperamide -H2O
Classification Antidiarrheal
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Exact Mass 458.212491325 u
Formula C29H31ClN2O
InChI InChI=1S/C29H31ClN2O/c1-31(2)28(33)29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)19-22-32-20-17-24(18-21-32)23-13-15-27(30)16-14-23/h3-17H,18-22H2,1-2H3
InChIKey UUHAGHSPKICYQY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 459.033 g/mol
Related CAS Registry Number(s) 53179-11-6
SMILES c1(ccc(cc1)Cl)C=1CCN(CC1)CCC(c1ccccc1)(c1ccccc1)C(=O)N(C)C
SPLASH splash10-014l-2890000000-bb165a2e3672dcdc7cc2
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_1823