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    Parogrelil

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 139145-27-0, Parogrelil [inn], 2pcp9n33nh, 4-bromo-6-(3-(4-chlorophenyl)propoxy)-5-((pyridin-3-ylmethyl)amino)pyridazin-3(2h)-one, 5-bromo-3-[3-(4-chlorophenyl)propoxy]-4-(pyridin-3-ylmethylamino)-1h-pyridazin-6-one, Unii-2pcp9n33nh
    Molecular Formula
    C19H18BrClN4O2
    Molecular Weight
    449.7  g/mol
    InChI Key
    YJMYSLFFZJUXOA-UHFFFAOYSA-N
    FDA UNII
    2PCP9N33NH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromo-3-[3-(4-chlorophenyl)propoxy]-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one
    2.1.2 InChI
    InChI=1S/C19H18BrClN4O2/c20-16-17(23-12-14-3-1-9-22-11-14)19(25-24-18(16)26)27-10-2-4-13-5-7-15(21)8-6-13/h1,3,5-9,11H,2,4,10,12H2,(H2,23,24,26)
    2.1.3 InChI Key
    YJMYSLFFZJUXOA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CN=C1)CNC2=C(C(=O)NN=C2OCCCC3=CC=C(C=C3)Cl)Br
    2.2 Other Identifiers
    2.2.1 UNII
    2PCP9N33NH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-bromo-6-(3-(4-chlorophenyl)propoxy)-5-(3-pyridylmethylamino)-3(2h)-pyridazinone Hydrochloride

    2. Nm-702

    3. Nt 702

    4. Nt-702

    5. Nt702 Cpd

    6. Parogrelil Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. 139145-27-0

    2. Parogrelil [inn]

    3. 2pcp9n33nh

    4. 4-bromo-6-(3-(4-chlorophenyl)propoxy)-5-((pyridin-3-ylmethyl)amino)pyridazin-3(2h)-one

    5. 5-bromo-3-[3-(4-chlorophenyl)propoxy]-4-(pyridin-3-ylmethylamino)-1h-pyridazin-6-one

    6. Unii-2pcp9n33nh

    7. Nt 702, Free Base

    8. Mls006010243

    9. Schembl149290

    10. Dtxsid80930371

    11. Bcpp000130

    12. Bcp02174

    13. Zinc1539352

    14. Nt-702

    15. Bcp9001051

    16. Sb16958

    17. Ncgc00346449-01

    18. Ncgc00346449-02

    19. 4-bromo-6-[3-(4-chlorophenyl)propoxy]-5-(pyridin-3-ylmethylamino)pyridazin-3(2h)-one Hydrochloride (free Base)

    20. Smr004701319

    21. Ds-016806

    22. 145p270

    23. Q27255385

    24. 4-bromo-5-(3-pyridylmethylamino)-6-(3-(4-chlorophenyl) Propoxy)-3-(2h)pyridazinone

    25. 4-bromo-5-[(3-pyridyl)methylamino]-6-[3-(4-chlorophenyl)propoxy]pyridazine-3(2h)-one

    26. 4-bromo-6-[3-(4-chlorophenyl)propoxy]-5-{[(pyridin-3-yl)methyl]amino}pyridazin-3-ol

    27. 4-bromo-6-[3-(4-chlorophenyl)propoxy]-5-(pyridin-3-ylmethylamino)pyridazin-3(2h)-one Hydrochloride (

    28. 4-bromo-6-[3-(4-chlorophenyl)propoxy]-5-[(pyridin-3-ylmethyl)amino]-2,3-dihydropyridazin-3-one

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 449.7 g/mol
    Molecular Formula C19H18BrClN4O2
    XLogP34.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass448.03017 g/mol
    Monoisotopic Mass448.03017 g/mol
    Topological Polar Surface Area75.6 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity576
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1