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2D Structure
Also known as: Diminazene diaceturate, 908-54-3, Berenil, Diminazene (aceturate), Azidin, Beronal
Molecular Formula
C22H29N9O6
Molecular Weight
515.5  g/mol
InChI Key
OKQSSSVVBOUMNZ-UHFFFAOYSA-N
FDA UNII
JI8SAD85NO

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-acetamidoacetic acid;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide
2.1.2 InChI
InChI=1S/C14H15N7.2C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;2*1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2*2H2,1H3,(H,5,6)(H,7,8)
2.1.3 InChI Key
OKQSSSVVBOUMNZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N
2.2 Other Identifiers
2.2.1 UNII
JI8SAD85NO
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1,3-bis(4'-amidinophenyl)triazene N-acetylglycine

2. Azidin

3. Berenil

4. Diminazenaceturate

5. Diminazene Diaceturate

6. Ganaseg

7. Trypan

2.3.2 Depositor-Supplied Synonyms

1. Diminazene Diaceturate

2. 908-54-3

3. Berenil

4. Diminazene (aceturate)

5. Azidin

6. Beronal

7. Bevenil

8. Diminazene (diaceturate)

9. Chebi:82615

10. 1,3-bis(p-amidinophenyl)triazene Bis(n-acetylglycinate)

11. Ji8sad85no

12. Diminazene Aceturate 100 Microg/ml In Acetonitrile:water

13. Di-(4-amidinophenyl)-triazine-(n-1,3)-diaceturate

14. 2-acetamidoacetic Acid;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide

15. 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzene-carboximidamide Diaceturate

16. Nsc-114835

17. Glycine, N-acetyl-, Compd. With 4,4'-(1-triazene-1,3-diyl)bis[benzenecarboximidamide] (2:1)

18. Chembl380216

19. Dtxsid4022945

20. Schembl11311441

21. Diminazene Aceturate [mi]

22. Diminazene Bis(n-acetylglycinate)

23. Hms3264m22

24. Hms3652k14

25. Diminazene Aceturate [mart.]

26. Mfcd00058386

27. S4104

28. Akos025310610

29. Akos030243015

30. Ccg-213828

31. Diminazene Aceturate, Analytical Standard

32. As-14290

33. Hy-12404

34. Cs-0011255

35. Ft-0624974

36. Sw219273-1

37. 908d543

38. A916389

39. W-100324

40. Q27156132

41. Diminazene Aceturate Is Known As An Anti-protozoal Diamidine.

42. 4,4'-(triaz-1-ene-1,3-diyl)dibenzimidamide Bis(acetylglycinate)

43. (e)-4,4'-(triaz-1-ene-1,3-diyl)dibenzimidamide Bis(2-acetamidoacetate)

44. (e)-4,4-(triaz-1-ene-1,3-diyl)dibenzimidamide Bis(acetylglycinate) Hydrate

45. (triaz-1-ene-1,3-diyldi-4,1-phenylene)bis(iminomethanaminium) Bis(acetamidoacetate)

46. 4,4'-(1-triazene-1,3-diyl)bis[benzenecarboximidamide] Bis(n-acetylglycinate)

47. N-acetylglycine Compd. With 4,4'-(1-triazene-1,3-diyl)bis[benzene Carboximidamide] (2:1)

48. N-acetylglycine - 4-[(1e)-3-{4-[amino(imino)methyl]phenyl}triaz-1-en-1-yl]benzenecarboximidamide (2:1)

2.4 Create Date
2005-11-20
3 Chemical and Physical Properties
Molecular Weight 515.5 g/mol
Molecular Formula C22H29N9O6
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass515.22407968 g/mol
Monoisotopic Mass515.22407968 g/mol
Topological Polar Surface Area269 Ų
Heavy Atom Count37
Formal Charge0
Complexity500
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

Antiprotozoal Agents

Substances that are destructive to protozoans. (See all compounds classified as Antiprotozoal Agents.)


Trypanocidal Agents

Agents destructive to the protozoal organisms belonging to the suborder TRYPANOSOMATINA. (See all compounds classified as Trypanocidal Agents.)


Intercalating Agents

Agents that are capable of inserting themselves between the successive bases in DNA, thus kinking, uncoiling or otherwise deforming it and therefore preventing its proper functioning. They are used in the study of DNA. (See all compounds classified as Intercalating Agents.)