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Vonoprazan fumarate

View entire compound with spectra: 2 FTIR, and 1 Raman

Vonoprazan fumarate
SpectraBase Compound ID GZnckkZbJ08
InChI InChI=1S/C17H16FN3O2S.C4H4O4/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14;5-3(6)1-2-4(7)8/h2-9,11-12,19H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey ROGSHYHKHPCCJW-WLHGVMLRSA-N
Mol Weight 461.46 g/mol
Molecular Formula C21H20FN3O6S
Exact Mass 461.105685 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7k1ebw3gO5V
Name Vonoprazan fumarate
Source of Sample Cayman Chemical Company
Catalog Number 24200
Lot Number 0520865-1
Apodization Function Norton-Beer, medium
CAS Registry Number 1260141-27-2
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20FN3O6S
IUPAC Name 5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine, 2-butenedioate
InChI InChI=1S/C17H16FN3O2S.C4H4O4/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14;5-3(6)1-2-4(7)8/h2-9,11-12,19H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey ROGSHYHKHPCCJW-WLHGVMLRSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 461.464 g/mol
SMILES OC(\C=C\C(O)=O)=O.N(Cc1c[n](c(c1)-c1ccccc1F)S(=O)(=O)c1cccnc1)C
Source of Spectrum Forensic Spectral Research
Synonyms TAK-438
Technique KBr0