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217087-09-7

Name Esomeprazole magnesium trihydrate
CAS 217087-09-7
EINECS(EC#) 669-839-3
Molecular Formula C34H42MgN6O9S2
MDL Number MFCD07698573
Molecular Weight 767.17
MOL File 217087-09-7.mol

Chemical Properties

Appearance Off-White Powder
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  neat
color  White to off-white
Usage S-Form of Omeprazole. Gastric proton-pump inhibitor
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)

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  3
HS Code  2933399090

Hazard Information

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