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    Dilazep

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Dilazep dihydrochloride, 20153-98-4, Dilazep (dihydrochloride), Asta c 4898, Prestwick_175, Lv48lw10eo
    Molecular Formula
    C31H46Cl2N2O10
    Molecular Weight
    677.6  g/mol
    InChI Key
    VILIWRRWAWKXRW-UHFFFAOYSA-N
    FDA UNII
    LV48LW10EO
    Coronary vasodilator with some antiarrhythmic activity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate;dihydrochloride
    2.1.2 InChI
    InChI=1S/C31H44N2O10.2ClH/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4;;/h18-21H,7-17H2,1-6H3;2*1H
    2.1.3 InChI Key
    VILIWRRWAWKXRW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    LV48LW10EO
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Asta C 4898

    2. Biopropazepan Trimethoxybenzoate

    3. C 4898, Asta

    4. Dilazep

    5. Trimethoxybenzoate, Biopropazepan

    2.3.2 Depositor-Supplied Synonyms

    1. Dilazep Dihydrochloride

    2. 20153-98-4

    3. Dilazep (dihydrochloride)

    4. Asta C 4898

    5. Prestwick_175

    6. Lv48lw10eo

    7. 1,4-bis[3-(3,4,5-trimethoxybenzoyloxy)propyl]homopiperazine Dihydrochloride

    8. Nsc-760096

    9. Sr-01000075817

    10. (tetrahydro-1h-1,4-diazepine-1,4(5h)-diyl)di(propane-1,3-diyl) Bis(3,4,5-trimethoxybenzoate) Dihydrochloride

    11. 1,4-bis(3-(3,4,5-trimethoxybenzoyloxy)propyl)homopiperazine Dihydrochloride

    12. Mfcd00133267

    13. 3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate

    14. Surecn349239

    15. Schembl349239

    16. Dilazep Dihydrochloride, Powder

    17. Chembl1603820

    18. Chebi:31493

    19. Hms1568p13

    20. Dilazep Dihydrochloride [mi]

    21. Akos024458358

    22. Ccg-213812

    23. Dilazep Dihydrochloride [who-dd]

    24. 3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate;dihydrochloride

    25. As-82736

    26. Hy-100957

    27. Cs-0020636

    28. Sr-01000075817-1

    29. Sr-01000075817-6

    30. W-110510

    31. Q27283203

    32. (1,4-diazepane-1,4-diyl)bis(propane-3,1-diyl) Bis(3,4,5-trimethoxybenzoate) Dihydrochloride

    33. 3-{4-[3-(3,4,5-trimethoxybenzoyloxy)propyl]-1,4-diazepan-1-yl}propyl 3,4,5-trimethoxybenzoate Dihydrochloride

    2.4 Create Date
    2006-04-14
    3 Chemical and Physical Properties
    Molecular Weight 677.6 g/mol
    Molecular Formula C31H46Cl2N2O10
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count18
    Exact Mass676.2529511 g/mol
    Monoisotopic Mass676.2529511 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity727
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)