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    Dilazepam

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 35898-87-4, Dilazep [inn], F8klc2bd5z, Chembl126075, 3,3'-(1,4-diazepan-1,4-diyl)dipropyl bis(3,4,5-trimethoxybenzoat), Dilazep (inn)
    Molecular Formula
    C31H44N2O10
    Molecular Weight
    604.7  g/mol
    InChI Key
    QVZCXCJXTMIDME-UHFFFAOYSA-N
    FDA UNII
    F8KLC2BD5Z
    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
    2.1.2 InChI
    InChI=1S/C31H44N2O10/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
    2.1.3 InChI Key
    QVZCXCJXTMIDME-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
    2.2 Other Identifiers
    2.2.1 UNII
    F8KLC2BD5Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Asta C 4898

    2. Biopropazepan Trimethoxybenzoate

    3. C 4898, Asta

    4. Cormelian

    5. Trimethoxybenzoate, Biopropazepan

    2.3.2 Depositor-Supplied Synonyms

    1. 35898-87-4

    2. Dilazep [inn]

    3. F8klc2bd5z

    4. Chembl126075

    5. 3,3'-(1,4-diazepan-1,4-diyl)dipropyl Bis(3,4,5-trimethoxybenzoat)

    6. Dilazep (inn)

    7. Ncgc00016747-03

    8. (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) Bis(3,4,5-trimethoxybenzoate)

    9. Dsstox_cid_25425

    10. Dsstox_rid_80871

    11. Tetrahydro-1h-1,4-diazepine-1,4(5h)-dipropanol 3,4,5-trimethoxybenzoate (diester)

    12. Dsstox_gsid_45425

    13. Dilazepam

    14. Dilazepum

    15. 3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate

    16. Dilazepum [inn-latin]

    17. Dilazepam [inn-spanish]

    18. Benzoic Acid, 3,4,5-trimethoxy-,(tetrahydro-1h-1,4-diazepine-1,4(5h)-diyl)di-3,1-propanediyl Ester

    19. Cas-35898-87-4

    20. Unii-f8klc2bd5z

    21. Benzoic Acid, 3,4,5-trimethoxy-, (tetrahydro-1h-1,4-diazepine-1,4(5h)-diyl)di-3,1-propanediyl Ester

    22. Ki 2119

    23. Tocris-0481

    24. Dilazep [mi]

    25. 20153-98-4

    26. Prestwick0_000236

    27. Prestwick1_000236

    28. Prestwick2_000236

    29. Prestwick3_000236

    30. Dilazep [who-dd]

    31. Lopac0_000369

    32. Schembl48830

    33. Bspbio_000311

    34. Spbio_002232

    35. Bpbio1_000343

    36. Gtpl4717

    37. Dtxsid9045425

    38. Chebi:92842

    39. Glxc-25687

    40. Hms2090a11

    41. 1,4-bis(3,4,5-trimethoxybenzyloxy)propyl)perhydro-1,4-diazepin

    42. Tox21_110588

    43. Bdbm50017691

    44. Zinc22454221

    45. 3,3'-(1,4-diazepan-1,4-diyl)dipropyl Bis(3,4,5-trimethoxybenzoat) [iupac]

    46. Tox21_110588_1

    47. Db13715

    48. Ncgc00016747-01

    49. Ncgc00016747-02

    50. Ncgc00016747-04

    51. Ncgc00016747-05

    52. Ncgc00016747-07

    53. Ncgc00024610-01

    54. Ncgc00024610-02

    55. 3-{4-[3-(3,4,5-trimethoxybenzoyloxy)propyl]-1,4-diazepan-1-yl}propyl 3,4,5-trimethoxybenzoate

    56. Cas-20153-98-4

    57. D07843

    58. Q5276700

    59. Sr-01000075817-3

    60. Brd-k48722258-003-04-5

    61. Brd-k48722258-300-03-7

    62. Brd-k48722258-300-05-2

    63. Brd-k48722258-300-07-8

    64. (1,4-diazepane-1,4-diyl)bis(propane-3,1-diyl) Bis(3,4,5-trimethoxybenzoate)

    65. 3,3'-(1,4-diazepane-1,4-diyl)bis(propane-3,1-diyl) Bis(3,4,5-trimethoxybenzoate)

    66. 3,4,5-trimethoxybenzoic Acid 3-[4-[3-[oxo-(3,4,5-trimethoxyphenyl)methoxy]propyl]-1,4-diazepan-1-yl]propyl Ester

    67. 8dz

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 604.7 g/mol
    Molecular Formula C31H44N2O10
    XLogP34.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count18
    Exact Mass604.29959560 g/mol
    Monoisotopic Mass604.29959560 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count43
    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 Count1
    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.)

    4.2 ATC Code

    C - Cardiovascular system

    C01 - Cardiac therapy

    C01D - Vasodilators used in cardiac diseases

    C01DX - Other vasodilators used in cardiac diseases

    C01DX10 - Dilazep