| SpectraBase Spectrum ID |
Dm7Q1KyUsq0 |
| Name |
Cimetidine |
| CAS Registry Number |
51481-61-9 |
| Classification |
Pharmaceutical drug, histamine H2-antagonist |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
252.115715713 u |
| Formula |
C10H16N6S |
| InChI |
InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) |
| InChIKey |
AQIXAKUUQRKLND-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
252.340 g/mol |
| Nominal Mass |
252 u |
| Quality |
951 |
| SMILES |
C1(=C(NC=N1)C)CSCCN\C(NC)=N\C#N |
| SPLASH |
splash10-052e-9200000000-504e4572c7bffc870a27 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine |
| Technique |
DI/MS |
| Wiley ID |
DD2024_000711 |
