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    Irsogladine Maleate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 84504-69-8, Gaslon, Mn-1695, 57381-28-9, Irsogladine (maleate), Irsogladine maleate [jan]
    Molecular Formula
    C13H11Cl2N5O4
    Molecular Weight
    372.16  g/mol
    InChI Key
    PJLVTVAIERNDEQ-BTJKTKAUSA-N
    FDA UNII
    66GVU60EPQ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-but-2-enedioic acid;6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
    2.1.2 InChI
    InChI=1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
    2.1.3 InChI Key
    PJLVTVAIERNDEQ-BTJKTKAUSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl.C(=C\C(=O)O)\C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    66GVU60EPQ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,4-diamino-6-(2,5-dichlorophenyl)-s-triazine Maleate

    2. 6-(2,5-dichlorophenyl)-2,4-diamino-1,3,5-triazine

    3. Dcpdat

    4. Irsogladine

    5. Mn 1695

    6. Mn-1695

    2.3.2 Depositor-Supplied Synonyms

    1. 84504-69-8

    2. Gaslon

    3. Mn-1695

    4. 57381-28-9

    5. Irsogladine (maleate)

    6. Irsogladine Maleate [jan]

    7. 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine Maleate

    8. 66gvu60epq

    9. 84504-69-8 (maleate)

    10. 1,3,5-triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-, (z)-2-butenedioate (1:1)

    11. Irsogladine Hbr

    12. Dsstox_cid_20234

    13. Dsstox_rid_79454

    14. Dsstox_gsid_40234

    15. Gaslon N

    16. Cas-84504-69-8

    17. Unii-66gvu60epq

    18. Ccris 8107

    19. Iosogladine Maleate

    20. Ncgc00160397-01

    21. Dicloguamine Maleate

    22. Gaslon N (tn)

    23. Mn 1695

    24. Irsogladine Maleate- Bio-x

    25. Irsogladine Maleate (jp17)

    26. Schembl440934

    27. Chembl1712923

    28. Dtxsid2040234

    29. Irsogladine Maleate [mi]

    30. Chebi:31721

    31. Hy-b0327a

    32. (z)-but-2-enedioic Acid;6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine

    33. Hms2051d03

    34. Hms2230l23

    35. Hms3269m05

    36. Hms3413d15

    37. Hms3677d15

    38. Hms3714e21

    39. S-triazine, 2,4-diamino-6-(2,5-dichlorophenyl)-, Maleate

    40. Tox21_111786

    41. 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine; Maleic Acid

    42. Irsogladine Maleate [who-dd]

    43. Mfcd00873566

    44. Akos015961793

    45. Tox21_111786_1

    46. Ac-6801

    47. Ccg-100912

    48. Hs-0056

    49. Nc00162

    50. Ncgc00160397-04

    51. Bi164585

    52. I0719

    53. D01658

    54. 504i698

    55. A831420

    56. A840825

    57. Sr-01000763269-4

    58. Q27263995

    59. 2,4-diamino-6-(2,5-dichlorophenyl)-1,3,5-triazine Maleate

    60. 2,4-diamino-6-(2,5-dichlorophenyl)-1,3,5-triazinemaleate

    61. 2,4-diamino-6-(2,5-dichlorophenyl)-s-triazine Maleat

    62. 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine Maleate(1:1)

    63. 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diaminemaleate(1:1)

    64. 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine (2z)-but-2-enedioate

    2.4 Create Date
    2005-10-11
    3 Chemical and Physical Properties
    Molecular Weight 372.16 g/mol
    Molecular Formula C13H11Cl2N5O4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count3
    Exact Mass371.0188092 g/mol
    Monoisotopic Mass371.0188092 g/mol
    Topological Polar Surface Area165 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity351
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Ulcer Agents

    Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief. (See all compounds classified as Anti-Ulcer Agents.)

    Anticarcinogenic Agents

    Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved. (See all compounds classified as Anticarcinogenic Agents.)

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    Radiation-Protective Agents

    Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military. (See all compounds classified as Radiation-Protective Agents.)