| SpectraBase Spectrum ID |
42nCGVaaVOf |
| Name |
Setipiprant TMS |
| CAS Registry Number |
866460-33-5 |
| Classification |
Pharmaceutical drug, treatment of asthma and scalp hair loss |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
402.137970640 u |
| Formula |
C24H19FN2O3 |
| InChI |
InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29) |
| InChIKey |
IHAXLPDVOWLUOS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
402.425 g/mol |
| Nominal Mass |
402 u |
| Quality |
941 |
| Retention Index |
3199 |
| SMILES |
OC(CN1C2=C(C=3C1=CC=C(C3)F)CN(C(C=1C3=C(C=CC1)C=CC=C3)=O)CC2)=O |
| SPLASH |
splash10-0ar0-0924000000-a3b240f545bc7b7cee99 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ACT-129968
KYTH-105
2-[8-Fluoro-2-(naphthalene-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025517 |
