| SpectraBase Spectrum ID |
GZJMmcQaPiq |
| Name |
Lumefantrin |
| CAS Registry Number |
82186-77-4 |
| Classification |
Pharmaceutical drug, antimalarial |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
527.154947753 u |
| Formula |
C30H32Cl3NO |
| InChI |
InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15- |
| InChIKey |
DYLGFOYVTXJFJP-MYYYXRDXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
528.951 g/mol |
| Nominal Mass |
527 u |
| Quality |
981 |
| Retention Index |
3857 |
| SMILES |
OC(C1=C2C(\C(C3=C2C=CC(=C3)Cl)=C/C2=CC=C(C=C2)Cl)=CC(=C1)Cl)CN(CCCC)CCCC |
| SPLASH |
splash10-0f6x-2943000000-8fe3db518a73b3ffb268 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(RS)-2-(Dibutylamino)-1-[(Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoroen-4-\ryl]ethanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013818 |
