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Ondansetron HCl dihydrate

View entire compound with spectra: 1 FTIR

Ondansetron HCl dihydrate
SpectraBase Compound ID 5eA0ksWC2rk
InChI InChI=1S/C18H19N3O.ClH.2H2O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;;;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H;2*1H2
InChIKey VRSLTNZJOUZKLX-UHFFFAOYSA-N
Mol Weight 365.861 g/mol
Molecular Formula C18H24ClN3O3
Exact Mass 365.150619 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 11oykNLP0Yc
Name Ondansetron HCl dihydrate
Source of Sample Cayman Chemical Company
Catalog Number 14999
Lot Number 0451840-10
Accessory DurasamplIR II
CAS Registry Number 103639-04-9
Classification selective SR-3 antagonist
Copyright Copyright © 2014-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24ClN3O3
InChI InChI=1S/C18H19N3O.ClH.2H2O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;;;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H;2*1H2
InChIKey VRSLTNZJOUZKLX-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES c12C(C(CCc1[n](c1c2cccc1)C)C[n]1ccnc1C)=O.Cl.O.O
Sample Description crystalline solid
Source of Spectrum Forensic Spectral Research
Synonyms 1,2,3,9-Tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-carbazol-4-one, monohydrochloride
Technique ATR-Neat (DuraSamplIR II)