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    CAS 161796-84-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Esomeprazole potassium, Esomeprazole potassium [usan], F37s7g37o2, Nsc-759647, Esomeprazole potassium (usan), Unii-f37s7g37o2
    Molecular Formula
    C17H18KN3O3S
    Molecular Weight
    383.5  g/mol
    InChI Key
    FOFFPEFVSRGLOZ-JIDHJSLPSA-N
    FDA UNII
    F37S7G37O2
    The S-isomer of omeprazole.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    potassium;5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
    2.1.2 InChI
    InChI=1S/C17H18N3O3S.K/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1/t24-;/m0./s1
    2.1.3 InChI Key
    FOFFPEFVSRGLOZ-JIDHJSLPSA-N
    2.1.4 Canonical SMILES
    CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[K+]
    2.1.5 Isomeric SMILES
    CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[K+]
    2.2 Other Identifiers
    2.2.1 UNII
    F37S7G37O2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Esomeprazole

    2. Esomeprazole Magnesium

    3. Esomeprazole Potassium

    4. Esomeprazole Sodium

    5. Esomeprazole Strontium

    6. Esomeprazole Strontium Anhydrous

    7. Nexium

    8. Strontium, Esomeprazole

    2.3.2 Depositor-Supplied Synonyms

    1. Esomeprazole Potassium

    2. Esomeprazole Potassium [usan]

    3. F37s7g37o2

    4. Nsc-759647

    5. Esomeprazole Potassium (usan)

    6. Unii-f37s7g37o2

    7. Chembl2105642

    8. Dtxsid20167240

    9. Esomeprazole Potassium [mart.]

    10. Esomeprazole Potassium [who-dd]

    11. Nsc 759647

    12. D09339

    13. Q27277571

    14. (-)-5-methoxy-2-((s)-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1h- Benzimidazole Potassium Salt

    15. 1h-benzimidazole, 6-methoxy-2-((s)-((4-methoxy-3,5-dimethyl-2- Pyridinyl)methyl)sulfinyl)-, Potassium Salt (1:1)

    16. 1h-benzimidazole, 6-methoxy-2-((s)-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-, Potassium Salt (1:1)

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 383.5 g/mol
    Molecular Formula C17H18KN3O3S
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass383.07059410 g/mol
    Monoisotopic Mass383.07059410 g/mol
    Topological Polar Surface Area81.5 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity459
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Ulcer Agents

    Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief. (See all compounds classified as Anti-Ulcer Agents.)

    Proton Pump Inhibitors

    Compounds that inhibit H(+)-K(+)-EXCHANGING ATPASE. They are used as ANTI-ULCER AGENTS and sometimes in place of HISTAMINE H2 ANTAGONISTS for GASTROESOPHAGEAL REFLUX. (See all compounds classified as Proton Pump Inhibitors.)