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    Technical details about DSSTox_CID_31492, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_31492

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: Almitrine dimesylate, 29608-49-9, Almitrine bismesylate, Almitrine dimethanesulfonate, Almitrine dimesilate, Vectarion
    Molecular Formula
    C28H37F2N7O6S2
    Molecular Weight
    669.8  g/mol
    InChI Key
    MRDBGMJEPGXQHJ-UHFFFAOYSA-N
    FDA UNII
    6RY6V6XM8T
    A respiratory stimulant that enhances respiration by acting as an agonist of peripheral chemoreceptors located on the carotid bodies. The drug increases arterial oxygen tension while decreasing arterial carbon dioxide tension in patients with chronic obstructive pulmonary disease. It may also prove useful in the treatment of nocturnal oxygen desaturation without impairing the quality of sleep.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C26H29F2N7.2CH4O3S/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;2*1-5(2,3)4/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);2*1H3,(H,2,3,4)
    2.1.3 InChI Key
    MRDBGMJEPGXQHJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)O.CS(=O)(=O)O.C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C
    2.2 Other Identifiers
    2.2.1 UNII
    6RY6V6XM8T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Almitrine

    2. Almitrine Bis(methanesulfonate)

    3. Almitrine Bismesylate

    4. Almitrine Dimesylate

    5. Almitrine Monomesylate

    6. Monomesylate, Almitrine

    7. Vectarion

    2.3.2 Depositor-Supplied Synonyms

    1. Almitrine Dimesylate

    2. 29608-49-9

    3. Almitrine Bismesylate

    4. Almitrine Dimethanesulfonate

    5. Almitrine Dimesilate

    6. Vectarion

    7. Almitrine Mesilate

    8. Almitrine Mesylate [usan]

    9. Almitrine Bismesilate

    10. 6ry6v6xm8t

    11. 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-n,4-n-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine;methanesulfonic Acid

    12. Chebi:53779

    13. S-2620

    14. N2,n4-diallyl-6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1,3,5-triazine-2,4-diamine Dimethanesulfonate

    15. Almitrine Mesylate (usan)

    16. (diallylamino-4'-6'-triazinyl-2')-1-(bis P-fluorobenzydryl)-4 Piperazine Bis Methanesulfonate

    17. 2,4-bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine Dimethanesulfonate

    18. 6-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-n,n'-di-2-propenyl-1,3,5-triazine-2,4-diamine Dimethanesulfonate

    19. Unii-6ry6v6xm8t

    20. S 2620 Bismethanesulfonate

    21. Almitrine Bismethane Sulfonate

    22. Almitrinemesylate

    23. Vectarion (tn)

    24. Einecs 249-726-1

    25. Almitrine Bismethanesulfonate

    26. Dsstox_cid_31492

    27. Dsstox_rid_97377

    28. Dsstox_gsid_57703

    29. Schembl2228917

    30. Chembl3181957

    31. Dtxsid5057703

    32. Tox21_113959

    33. Almitrine Dimesilate [mart.]

    34. Mfcd01679060

    35. S4439

    36. Almitrine Dimesilate [who-dd]

    37. Akos027327548

    38. Almitrine Dimethanesulfonate [mi]

    39. Ncgc00262968-01

    40. Ds-11817

    41. Cas-29608-49-9

    42. Hy-107319

    43. Cs-0028130

    44. D02822

    45. 608a499

    46. Q27104813

    47. 1,3,5-triazine-2,4-diamine, 6-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-n,n'-di-2-propenyl-, Dimethanesulfonate

    48. 2,4-bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine Dimethanesulphonate

    49. 6-4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-n,n'-di-2-propenyl-1,3,5-triazine-2,4-diamine Dimethanesulfonate

    50. 6-4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-n,n'-di-2-propenyl-1,3,5-triazine-2,4-diamine Dimethanesulphonate

    51. N,n'-diallyl-6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1,3,5-triazine-2,4-diamine Dimethanesulphonate

    52. N,n'-diallyl-6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-1,3,5-triazine-2,4-diamine Dimethanesulfonate

    53. N2,n4-diallyl-6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1,3,5-triazine-2,4-diaminedimethanesulfonate

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 669.8 g/mol
    Molecular Formula C28H37F2N7O6S2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count10
    Exact Mass669.22148060 g/mol
    Monoisotopic Mass669.22148060 g/mol
    Topological Polar Surface Area195 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity694
    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

    Respiratory System Agents

    Drugs used for their effects on the respiratory system. (See all compounds classified as Respiratory System Agents.)

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