loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Comelian

    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: Dilazep hydrochloride, Cormelian, Dilazep hcl, Asta c 4898, Labitan, Lv48lw10eo
    Molecular Formula
    C31H46Cl2N2O10
    Molecular Weight
    677.6  g/mol
    InChI Key
    VILIWRRWAWKXRW-UHFFFAOYSA-N
    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-diazepane-1,4-diium-1-yl]propyl 3,4,5-trimethoxybenzoate;dichloride
    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)OCCC[NH+]2CCC[NH+](CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-].[Cl-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Asta C 4898

    2. Biopropazepan Trimethoxybenzoate

    3. C 4898, Asta

    4. Cormelian

    5. Dilazep

    6. Trimethoxybenzoate, Biopropazepan

    2.2.2 Depositor-Supplied Synonyms

    1. Dilazep Hydrochloride

    2. Cormelian

    3. Dilazep Hcl

    4. Asta C 4898

    5. Labitan

    6. Lv48lw10eo

    7. 20153-98-4

    8. Asta C

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

    10. Ccris 3782

    11. Einecs 243-548-8

    12. K-285

    13. Unii-lv48lw10eo

    14. Dilazep Dihydrochloride [jan]

    15. As 05

    16. Dtxsid201017379

    17. Hms3261i19

    18. Tox21_500369

    19. N,n'-bis(3-(3,4,5-trimethoxybenzoyloxy)propyl)homopiperazine Dihydrochloride

    20. Ccg-221673

    21. Lp00369

    22. Nsc 760096

    23. 1,4-bis(3-(3,4,5-trimethoxybenzoyloxy)-propyl)perhydro-1,4-diazepine Dihydrochloride

    24. N,n'-(bis-omega-hydroxypropyl)homopiperazine 3,4,5-trimethoxybenzoate Dihydrochloride

    25. Tetrahydro-1h-1,4-diazepine-1,4(5h)-dipropanol Bis(3,4,5-trimethoxybenzoate) Dihydrochloride

    26. Ncgc00093803-01

    27. Ncgc00261054-01

    28. Benzoic Acid, 3,4,5-trimethoxy-, Diester With Tetrahydro-1h-1,4-diazepine-1,4(5h)dipropanol, Dihydrochloride

    29. Eu-0100369

    30. D 5294

    2.3 Create Date
    2005-06-24
    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 Area117 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.)

    Post Enquiry
    POST ENQUIRY