| SpectraBase Spectrum ID |
GtzqaOiLGRk |
| Name |
Rupatadine |
| CAS Registry Number |
158876-82-5 |
| Classification |
Antihistamine |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
415.181525549 u |
| Formula |
C26H26N3Cl |
| InChI |
InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3 |
| InChIKey |
WUZYKBABMWJHDL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
415.968 g/mol |
| SMILES |
c12C(c3c(CCc2cc(cc1)Cl)cccn3)=C1CCN(CC1)Cc1cc(cnc1)C |
| SPLASH |
splash10-0a4i-2495000000-de7c43c7af2fbf14bf6c |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8367 |
