John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9SkHmZJcq6R SpectraBase Spectrum ID=2vpWI9fD2oL

(accessed ).
Montelukast sodium hydrate
SpectraBase Compound ID 9SkHmZJcq6R
InChI InChI=1S/C35H36ClNO3S.Na.H2O/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);;1H2/q;+1;/p-1/b15-10+;;/t32-;;/m1../s1
InChIKey QAXHQHBRRJHZHL-ZPQUALOVSA-M
Mol Weight 626.18676928 g/mol
Molecular Formula C35H37ClNNaO4S
Exact Mass 625.202953 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2vpWI9fD2oL
Name Montelukast sodium hydrate
Source of Sample Sigma-Aldrich Company Llc
Catalog Number SML0101
Lot Number 091M4726V
Accessory DurasamplIR II
CAS Registry Number 151767-02-1
Copyright Copyright © 2014-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H39ClNNaO4S
InChI InChI=1S/C35H36ClNO3S.Na.H2O/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);;1H2/q;+1;/p-1/b15-10+;;/t32-;;/m1../s1
InChIKey QAXHQHBRRJHZHL-ZPQUALOVSA-M
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
SpectraBase Batch ID JoGXEK2P3Pc
Synonyms Singulair; 1-​[[[(1R)​-​1-​[3-​[(1E)​-​2-​(7-​Chloro-​2-​quinolinyl)​ethenyl]​phenyl]​-​3-​[2-​(1-​hydroxy-​1-​methylethyl)​phenyl]​propyl]​thio]​methyl]​cyclopropaneacetic acid sodium salt hydrate
Technique ATR-Neat (DuraSamplIR II)