Esomeprazolemagnesiumtrihydrate
Basic information
- Standard SMILES
COc1ccc2[n-]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1.O.O.O.[Mg+2]- InChIKey
VEVZQDGATGBLIC-UHFFFAOYSA-N- Molecular formula
- C34H42MgN6O9S2
- Average molar mass
- 767.2 g/mol
Names & identifiers
- Preferred name
- Esomeprazolemagnesiumtrihydrate
- IUPAC
- magnesium;bis(5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide);trihydrate
Names & synonyms
EsomeprazolemagnesiumtrihydrateEsomeprazole (Magnesium trihydrate)AC-402MFCD31807353AKOS015967196KS-1054SY108184(s)-omeprazole magnesium trihydrateEsomeprazole MagnesiumC34H42MgN6O9S2orb1298977SCHEMBL2839461
Show more names
MFCD07698573FE22812BE164427magnesium;5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;trihydrateT8386Esomeprazole magnesium trihydrate - Bio-X trade mark5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide(T-4)-Bis[5-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazolato]magnesium trihydrate
Database identifiers
- PubChem CID
- 130565
Properties
Computed structural properties
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 10
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 453
Related reactions
5 records
Compound notes
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