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Methiothepin
SpectraBase Compound ID LaX3QrcuRQX
InChI InChI=1S/C20H24N2S2/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/h3-8,14,18H,9-13H2,1-2H3
InChIKey RLJFTICUTYVZDG-UHFFFAOYSA-N
Mol Weight 356.55 g/mol
Molecular Formula C20H24N2S2
Exact Mass 356.138091 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 7znIYnK8uUt
Name Methiothepin
Source of Sample Sigma-Aldrich Company Llc
Catalog Number Free base of M149
Lot Number Free base of 123M4719V
Accessory DurasamplIR II
CAS Registry Number 20229-30-5
Classification serotonin receptor antagonist, which blocks serotonin autoreceptors
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2S2
InChI InChI=1S/C20H24N2S2/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/h3-8,14,18H,9-13H2,1-2H3
InChIKey RLJFTICUTYVZDG-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Sample Preparation Procedure The mesylate salt was dissolved in 0.5 ml water in a test tube, and 1 drop of 30% NaOH solution was added, causing the clear solution to turn cloudy white. 1 ml dichloromethane was added to the test tube, which was shaken thoroughly using a vortex mixer. The test tube was spun in a centrifuge to separate the organic and aqueous layers. The bottom organic layer was retrieved with a pipette and placed in another clean test tube. Most of the solvent was evaporated from the tube using a flow of nitrogen gas, and the remaining solution was used to create a film on the diamond window for ATR-IR.
Source of Spectrum Forensic Spectral Research
Synonyms 1-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methylpiperazine
Technique ATR-Film (MeCl2) (DuraSamplIR II)