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Methiothepin mesylate salt
SpectraBase Compound ID 8i7eZL2LUMH
InChI InChI=1S/C20H24N2S2.CH4O3S/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;1-5(2,3)4/h3-8,14,18H,9-13H2,1-2H3;1H3,(H,2,3,4)
InChIKey CZMDZGZYKOGLJY-UHFFFAOYSA-N
Mol Weight 452.65 g/mol
Molecular Formula C21H28N2O3S3
Exact Mass 452.126206 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID UDMLxzwp85
Name Methiothepin mesylate salt
Source of Sample Sigma-Aldrich Company LLC
Catalog Number M149
Lot Number 123M4719V
CAS Registry Number 74611-28-2
Classification serotonin receptor antagonist
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O3S3
InChI InChI=1S/C20H24N2S2.CH4O3S/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;1-5(2,3)4/h3-8,14,18H,9-13H2,1-2H3;1H3,(H,2,3,4)
InChIKey CZMDZGZYKOGLJY-UHFFFAOYSA-N
Molecular Weight 452.646 g/mol
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd:YAG
Sample Description white solid
Source of Spectrum Forensic Spectral Research
Synonyms 1-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methylpiperazine mesylate salt; Metitepine mesylate salt
Technique FT-Raman