| SpectraBase Spectrum ID |
8Fa7mDBNbRA |
| Name |
Chloroquine |
| CAS Registry Number |
54-05-7 |
| Classification |
Pharmaceutical drug, antimalarial |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
319.181525549 u |
| Formula |
C18H26ClN3 |
| InChI |
InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) |
| InChIKey |
WHTVZRBIWZFKQO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
319.880 g/mol |
| Nominal Mass |
319 u |
| Quality |
994 |
| Retention Index |
2590 |
| SMILES |
C=1(C2=C(C=C(C=C2)Cl)N=CC1)NC(CCCN(CC)CC)C |
| SPLASH |
splash10-000i-9110000000-8511b84f9fd534bbe3e7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Chloroquin
Resochin
N'-(7-Chloroquinolin-4-yl)-N,N-diethyl-pentane-1,4-diamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000652 |
