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    Technical details about DTXSID50185290, learn more about the structure, uses, toxicity, action, side effects and more

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    DTXSID50185290

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Hs2s9vk3nh, 313640-86-7, Unii-hs2s9vk3nh, Dtxsid50185290, Q27280070, 1h-benzimidazole, 2-((r)-((3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)sulfinyl)-, hydrate (2:3)
    Molecular Formula
    C32H34F6N6O7S2
    Molecular Weight
    792.8  g/mol
    InChI Key
    XTQWZVSRVXCIGB-BBBDYAHLSA-N
    FDA UNII
    HS2S9VK3NH
    The R-isomer of lansoprazole that is used to treat severe GASTROESOPHAGEAL REFLUX DISEASE.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole;trihydrate
    2.1.2 InChI
    InChI=1S/2C16H14F3N3O2S.3H2O/c2*1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15;;;/h2*2-7H,8-9H2,1H3,(H,21,22);3*1H2/t2*25-;;;/m11.../s1
    2.1.3 InChI Key
    XTQWZVSRVXCIGB-BBBDYAHLSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F.CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F.O.O.O
    2.1.5 Isomeric SMILES
    CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F.CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F.O.O.O
    2.2 Other Identifiers
    2.2.1 UNII
    HS2S9VK3NH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-((r)-((3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)sulfinyl)-1h-benzimidazole

    2. Dexilant

    3. Dexlansoprazole

    4. Lansoprazole, R Isomer

    5. Lansoprazole, R-isomer

    6. R Lansoprazole

    7. R-isomer Lansoprazole

    8. R-lansoprazole

    9. T 168390

    10. T-168390

    11. T168390

    12. Tak 390

    13. Tak 390mr

    14. Tak-390

    15. Tak-390mr

    16. Tak390

    17. Tak390mr

    2.3.2 Depositor-Supplied Synonyms

    1. Hs2s9vk3nh

    2. 313640-86-7

    3. Unii-hs2s9vk3nh

    4. Dtxsid50185290

    5. Q27280070

    6. 1h-benzimidazole, 2-((r)-((3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)sulfinyl)-, Hydrate (2:3)

    2.4 Create Date
    2013-07-08
    3 Chemical and Physical Properties
    Molecular Weight 792.8 g/mol
    Molecular Formula C32H34F6N6O7S2
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count19
    Rotatable Bond Count10
    Exact Mass792.18345876 g/mol
    Monoisotopic Mass792.18345876 g/mol
    Topological Polar Surface Area177 Ų
    Heavy Atom Count53
    Formal Charge0
    Complexity480
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5
    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.)

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