| SpectraBase Spectrum ID |
99yBGscFb1J |
| Name |
Vonoprazan fumarate |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
24200 |
| Lot Number |
0520865-1 |
| CAS Registry Number |
1260141-27-2 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 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 |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1200 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N(Cc1cc([n](c1)S(=O)(=O)c1cccnc1)-c1c(cccc1)F)C.OC(\C=C\C(O)=O)=O |
| Scans Performed |
2048 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
TAK-438 |
| Technique |
FT-Raman |
