54237-72-8

Name CIMETIDINE SULPHOXIDE DIHYDROCHLORIDE
CAS 54237-72-8
Molecular Formula C10H16N6OS
MDL Number MFCD09025940
Molecular Weight 268.34
MOL File 54237-72-8.mol
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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

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
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

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