| SpectraBase Spectrum ID |
FuwGevB0DLF |
| Name |
Lumefantrine |
| CAS Registry Number |
82186-77-4 |
| Classification |
Antimalarial |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
527.154947753 u |
| Formula |
C30H32NOCl3 |
| 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 |
| SMILES |
c1(ccc-2c(\C(=C\c3ccc(cc3)Cl)c3c2c(cc(Cl)c3)C(O)CN(CCCC)CCCC)c1)Cl |
| SPLASH |
splash10-0006-1910000000-1d85153a0e4dc29efba4 |
| 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_8607 |
