217087-10-0
ESOMEPRAZOLE MAGNESIUM DIHYDRATE
NameESOMEPRAZOLE MAGNESIUM DIHYDRATE
FormulaC34 H36 Mg N6 O6 S2 . 2 H2 O
1Identification
【Name】
ESOMEPRAZOLE MAGNESIUM DIHYDRATE
【CAS】
【MDL】
MFCD11045290
【English Synonyms】
【Formula】
C34 H36 Mg N6 O6 S2 . 2 H2 O
【MolWeight】
749.161
【Inchi】
InChI=1S/2C17H18N3O3S.Mg.2H2O/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;;2*1H2/q2*-1;+2;;/t2*24-;;;/m00.../s1
【InChIKey】
InChIKey=DBOUSUONOXEWHU-VCKZSRROSA-N
【SMILES】
Cc1cnc(c(c1OC)C)C[S@](=O)c2nc3cc(ccc3n2[Mg]n4c5ccc(cc5nc4[S@@](=O)Cc6c(c(c(cn6)C)OC)C)OC)OC.O.O
【MOL File】
ESOMEPRAZOLE MAGNESI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:12
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ESOMEPRAZOLE MAGNESIUM DIHYDRATE.cml