| SpectraBase Spectrum ID |
79Gp1v0kYEw |
| Name |
Pyrimethamine |
| CAS Registry Number |
58-14-0 |
| Classification |
Antimalarial |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
248.082874135 u |
| Formula |
C12H13ClN4 |
| InChI |
InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) |
| InChIKey |
WKSAUQYGYAYLPV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
248.717 g/mol |
| SMILES |
CCc1c(c(nc(N)n1)N)-c1ccc(cc1)Cl |
| SPLASH |
splash10-0002-1490000000-5428e46fb6455c07aa64 |
| 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_2025 |
