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Esomeprazole magnesium trihydrate Structure

Esomeprazole magnesium trihydrate

Chemical Properties

Melting point 184-189°C (dec.)
storage temp.  Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility  Slightly soluble in water, soluble in methanol, practically insoluble in heptane.
form  Solid
color  White to off-white
InChI InChI=1S/2C17H18N3O3S.Mg.H2O/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;;/h2*5-8H,9H2,1-4H3;;1H2/q2*-1;+2;
InChIKey VEVZQDGATGBLIC-UHFFFAOYSA-N
SMILES C(C1N=CC(C)=C(OC)C=1C)S1C2[N-]C3=CC(OC)=CC=C3N=2[Mg+2]2(O=S(CC3N=CC(C)=C(OC)C=3C)C3[N-]C4=CC(OC)=CC=C4N2=3)O=1.O
CAS DataBase Reference 217087-09-7(CAS DataBase Reference)
NCI Dictionary of Cancer Terms Nexium
FDA UNII R6DXU4WAY9
NCI Drug Dictionary Nexium

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302
Precautionary statements P301+P312+P330
Hazard Codes  Xn
Risk Statements  22
WGK Germany  3
HS Code  2933399090

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