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Diminazene Aceturate

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Chemistry

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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

Diminazene Aceturate

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 Formula	C₂₂H₂₉N₉O₆
Molecular Weight	515.5 g/mol
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Exact Mass	515.22407968 g/mol
Monoisotopic Mass	515.22407968 g/mol
Topological Polar Surface Area	269 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	500
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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.)

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