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Irsogladine Maleate

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ACTIVE PHARMA INGREDIENTS

2 API Suppliers, 1 JDMF, 4 KDMF, 1 Listed Suppliers

2 API Suppliers
1 JDMF
4 KDMF
1 Listed Suppliers

Synopsis

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Chemistry

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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

Irsogladine Maleate

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 Formula	C₁₃H₁₁Cl₂N₅O₄
Molecular Weight	372.16 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	371.0188092 g/mol
Monoisotopic Mass	371.0188092 g/mol
Topological Polar Surface Area	165 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	351
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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.)

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