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Chlorothiazide

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 5 MS (GC)

Chlorothiazide
SpectraBase Compound ID GNyIPPM4xby
InChI InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey JBMKAUGHUNFTOL-UHFFFAOYSA-N
Mol Weight 295.71 g/mol
Molecular Formula C7H6ClN3O4S2
Exact Mass 294.948826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 581C1f82ka
Name Chlorothiazide
Alternate Name(s) 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-, 1,1-dioxide Alurene Chlorosal Chlorothiazid Chlorthiazide Chlortiazid Chlorurit Chlotride Clotride Diuresal Diuril Diurilix Diurite Diutrid Flumen Minzil Neo-Dema Salisan Salunil Saluretil Saluric Thiazide Urinex Warduzide Yadalan 6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide 6-Chloro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide Chloriazid Chlrosal SK-chlorothiazide Diuril Boluses
CAS Registry Number 58-94-6
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClN3O4S2
InChI InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey JBMKAUGHUNFTOL-UHFFFAOYSA-N
Molecular Weight 295.715 g/mol
SMILES N1C=Nc2cc(c(S(=O)(=O)N)cc2S1(=O)=O)Cl
SPLASH splash10-0292-9550000000-3cbdfd017d74f9ab1855
Source of Spectrum W5-0-0-0
Wiley ID 1297916