| SpectraBase Spectrum ID |
GXQiFhDAgQi |
| Name |
Almitrin |
| CAS Registry Number |
27469-53-0 |
| Classification |
Pharmaceutical drug, respiratory stimulant |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
477.245250288 u |
| Formula |
C26H29F2N7 |
| InChI |
InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33) |
| InChIKey |
OBDOVFRMEYHSQB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
477.564 g/mol |
| Nominal Mass |
477 u |
| Quality |
939 |
| SMILES |
C(N1CCN(C=2N=C(N=C(N2)NCC=C)NCC=C)CC1)(C=1C=CC(=CC1)F)C=1C=CC(=CC1)F |
| SPLASH |
splash10-00xr-0290000000-50a2697468b9b67ec9ac |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]-N,N'-diprop-2-enyl-1,3,5-triazine-2,4-diamine |
| Technique |
DI/MS |
| Wiley ID |
DD2024_006319 |
