| SpectraBase Spectrum ID |
19Dxw5Asohl |
| Name |
Cimetidine |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| 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 |
| SMILES |
[nH]1cnc(CSCCN\C(NC)=N\C#N)c1C |
| SPLASH |
splash10-05ot-9500000000-bd1aa361d1afd0668e31 |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
