| SpectraBase Spectrum ID |
DjtkWeJFq1w |
| Name |
Halofantrine |
| CAS Registry Number |
69756-53-2 |
| Classification |
Pharmaceutical drug, antimalarial |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
499.165654478 u |
| Formula |
C26H30Cl2F3NO |
| InChI |
InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3 |
| InChIKey |
FOHHNHSLJDZUGQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
500.433 g/mol |
| Nominal Mass |
499 u |
| Quality |
978 |
| Retention Index |
3231 |
| SMILES |
OC(C1=C2C(=C3C(=C1)C(=CC(=C3)Cl)Cl)C=C(C(F)(F)F)C=C2)CCN(CCCC)CCCC |
| SPLASH |
splash10-0006-3920100000-14cbc11e637bf756ec4b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001582 |
