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    Urinastatin

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 80499-32-7, 80449-32-7, 3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-8-ene, Trypsin inhibitor (human urine urinastatin protein moiety), 3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-9-ene, 2,4-dioxaspiro(5.5)undec-8-ene, 3-(2-furanyl)-
    Molecular Formula
    C13H16O3
    Molecular Weight
    220.26  g/mol
    InChI Key
    ODVKSTFPQDVPJZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-9-ene
    2.1.2 InChI
    InChI=1S/C13H16O3/c1-2-6-13(7-3-1)9-15-12(16-10-13)11-5-4-8-14-11/h1-2,4-5,8,12H,3,6-7,9-10H2
    2.1.3 InChI Key
    ODVKSTFPQDVPJZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC2(CC=C1)COC(OC2)C3=CC=CO3
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Acid-stable Protease Inhibitor

    2. Miraclid

    3. Mr 20

    4. Mr 20 (magnetic Powder) Of Urinastatin

    5. Mr-20 (magnetic Powder)

    6. Trypsin Inhibitor Mr-20

    7. Ulinastatin

    8. Urinary Trypsin Inhibitor

    9. Urinary Trypsin Inhibitor (68)

    10. Urinary Trypsin Inhibitor-like Inhibitor (43)

    11. Urinastatin

    12. Uti(68)

    13. Uti68

    2.2.2 Depositor-Supplied Synonyms

    1. 80499-32-7

    2. 80449-32-7

    3. 3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-8-ene

    4. Trypsin Inhibitor (human Urine Urinastatin Protein Moiety)

    5. 3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-9-ene

    6. 2,4-dioxaspiro(5.5)undec-8-ene, 3-(2-furanyl)-

    7. Trypsin Inhibitor Mr-20

    8. Mr-20 (magnetic Powder)

    9. Uti(68)

    10. Acid-stable Protease Inhibitor

    11. Urinary Trypsin Inhibitor (68)

    12. Mr 20

    13. Unii-or3s9if86u

    14. Uristatin

    15. Mingin

    16. Urinary Trypsin Inhibitor-like Inhibitor (43)

    17. Trypsin Inhibitor Uti

    18. Ulinastatin [inn:jan]

    19. Trypsin Inhibitor, Mingin

    20. Trypsin Inhibitor, Bikunin

    21. Urinary Trypsin Inhibitor 1

    22. 3-(2-furanyl)-2,4-dioxaspiro(5.5)undec-8-ene

    23. Dtxsid801001247

    24. Bcp08067

    25. Akos025401879

    26. Ac-26827

    27. Hy-21646

    28. D77201

    29. 9-(2-furyl)-8,10-dioxaspiro[5.5]undec-3-ene

    2.3 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 220.26 g/mol
    Molecular Formula C13H16O3
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass220.109944368 g/mol
    Monoisotopic Mass220.109944368 g/mol
    Topological Polar Surface Area31.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity266
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Trypsin Inhibitors

    Serine proteinase inhibitors which inhibit trypsin. They may be endogenous or exogenous compounds. (See all compounds classified as Trypsin Inhibitors.)