(S)-Omeprazole magnesium dihydrate, Nexium dihydrate, (T-4)-Bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-KO]-1H-benzimidazolato-KN3]-Magnesium dihydrate | CAS No. 217087-10-0

(S)-Omeprazole magnesium dihydrate, Nexium dihydrate, (T-4)-Bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-KO]-1H-benzimidazolato-KN3]-Magnesium dihydrate

Basic Information

CAS Number

217087-10-0

Molecular Formula

C34H40MgN6O8S2

Molecular Weight

749.17 g/mol

AD

Basic Physical Properties

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.O.O.[Mg+2]

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;;

InChIKey

DBOUSUONOXEWHU-UHFFFAOYSA-N

LogP

3.3408800000000034

Topological Polar Surface Area

195.48000000000002 Ų

Hydrogen Bond Donor/Acceptor

4 / 14

Complexity

453

Synonyms & References

English

  • ESOMEPRAZOLE (AS MAGNESIUM DIHYDRATE)
  • ESOMEPRAZOLE MAGNESIUM DIHYDRATE [WHO-DD]
  • Q27256563
  • MAGNESIUM, BIS(6-METHOXY-2-((S)-((4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)SULFINYL-.KAPPA.O)-1H-BENZIMIDAZOLATO-.KAPPA.N3)-, DIHYDRATE, (T-4)-
  • MAGNESIUM, BIS(6-METHOXY-2-((S)-((4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)SULFINYL-.KAPPA.O)-1H-BENZIMIDAZOLATO-.KAPPA.N3)-, HYDRATE (1:2), (T-4)-
  • Magnesium, bis(6-methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl-kappaO)-1H-benzimidazolato-kappaN3)-, dihydrate, (t-4)-
  • Esomeprazole magnesium dihydrate
  • ESOMEPRAZOLE MAGNESIUM DIHYDRATE (EP MONOGRAPH)
  • 36H71644EQ
  • magnesium;5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;dihydrate
  • ESOMEPRAZOLE MAGNESIUM DIHYDRATE [EP MONOGRAPH]
  • magnesium;5-methoxy-2-[(S)-(4-methoxy-3, 5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;dihydrate
  • 217087-10-0
  • (S)-Omeprazole magnesium dihydrate
  • D11114
  • AKOS025402476
  • UNII-36H71644EQ
  • Magnesium, bis(6-methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl-kappaO)-1H-benzimidazolato-kappaN3)-, hydrate (1:2), (t-4)-
  • Magnesium,bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-kO]-1H-benzimidazolato-kN3]-, hydrate (1:2), (T-4)-
  • EsoMeprazole MagnesiuM hydrate
  • Magnesium,bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-kO]-1H-ben...
  • Magnesium,bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-kO]-1H-benzimidazolato-kN3]-, hydrate (1:
  • Magnesium,bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-kO]-1H-benzimidazolato-kN3]-, hydrate (1:2)
  • (S)-Omeprazole Magnesium Dihydrate, Nexium Dihydrate, (T-4)-Bis[6-Methoxy-2-[(S)-[(4-Methoxy-3,5-Dimethyl-2-Pyridinyl)Methyl]Sulfinyl-Ko]-1H-Benzimidazolato-Kn3]-Magnesium Dihydrate
  • LogP

MDL Number

MFCD11045290

FAQ

What regulatory guidelines apply to (S)-Omeprazole magnesium dihydrate (CAS: 217087-10-0)?

(S)-Omeprazole magnesium dihydrate (CAS: 217087-10-0) is subject to global regulatory guidelines such as REACH in the European Union, FDA (Food and Drug Administration) in the USA, and EPA (Environmental Protection Agency) guidelines. It is classified as a pharmaceutical intermediate under GHS (Globally Harmonized System of Classification and Labeling of Chemicals), and thus, manufacturers and handlers must comply with specific safety data sheets (SDS) and proper labeling requirements.

Are there alternatives to (S)-Omeprazole magnesium dihydrate (CAS: 217087-10-0) in synthesis?

There are several alternatives to (S)-Omeprazole magnesium dihydrate (CAS: 217087-10-0) in synthesis, including (R)-Omeprazole and its isomers. Other substitutes include similar proton pump inhibitors like pantoprazole and esomeprazole. These alternatives offer similar pharmacological properties but may differ in synthesis routes and reagents used.

What is the market or research trend for (S)-Omeprazole magnesium dihydrate (CAS: 217087-10-0)?

The market for (S)-Omeprazole magnesium dihydrate (CAS: 217087-10-0) is driven by its use in the production of Nexium, a well-known proton pump inhibitor for treating gastroesophageal reflux disease (GERD). Research trends focus on optimizing synthesis methods and developing new formulations to enhance efficacy and reduce side effects. Additionally, there is an increasing emphasis on sustainable and greener production processes.

How should waste containing (S)-Omeprazole magnesium dihydrate (CAS: 217087-10-0) be handled?

Waste containing (S)-Omeprazole magnesium dihydrate (CAS: 217087-10-0) should be handled according to stringent environmental regulations. Collection should be done in dedicated containers, and disposal should be through professional waste disposal services. Incineration is a common method, but it must be conducted in compliance with local and international environmental standards. Proper documentation and safety measures are essential to ensure minimal environmental impact.

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