Cimetidine sulphoxide dihydrochloride
- Product NameCimetidine sulphoxide dihydrochloride
- CAS54237-72-8
- CBNumberCB2836704
- MFC10H16N6OS
- MW268.34
- MDL NumberMFCD09025940
- MOL File54237-72-8.mol
- MSDS FileSDS
Chemical Properties
| Melting point | >180°C (dec.) |
| Boiling point | 594.8±60.0 °C(Predicted) |
| Density | 1.39±0.1 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| solubility | DMSO (Slightly, Heated), Methanol (Slightly) |
| form | Solid |
| pka | 13.38±0.10(Predicted) |
| color | White to Off-White |
| Major Application | pharmaceutical |
| InChI | 1S/C10H16N6OS/c1-8-9(16-7-15-8)5-18(17)4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) |
| InChIKey | HOJLJLYVNQFCRE-UHFFFAOYSA-N |
| SMILES | [S](=O)(CCN\C(=N/C)\NC#N)Cc1nc[nH]c1C |
| FDA UNII | H6V3T9UG74 |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
| Signal word | Danger |
| Hazard statements | H301-H311-H331 |
| Precautionary statements | P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
