Alpharma Brand of Robenidine Hydrochloride

Synopsis, Chemistry

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Also known as: 25875-50-7, Robenidine hcl, Robenidine hydrochoride, Robenzidine, Robenidine hydrochloride [usan], 1,2-bis[(e)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride

Molecular Formula

C₁₅H₁₄Cl₃N₅

Molecular Weight

370.7 g/mol

InChI Key

LTWIBTYLSRDGHP-HCURTGQUSA-N

FDA UNII

8STT15Y392

An anticoccidial agent mainly for poultry.

1 2D Structure

Alpharma Brand of Robenidine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride

2.1.2 InChI

InChI=1S/C15H13Cl2N5.ClH/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12;/h1-10H,(H3,18,21,22);1H/b19-9+,20-10+;

2.1.3 InChI Key

LTWIBTYLSRDGHP-HCURTGQUSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C=NNC(=NN=CC2=CC=C(C=C2)Cl)N)Cl.Cl

2.1.5 Isomeric SMILES

C1=CC(=CC=C1/C=N/N/C(=N/N=C/C2=CC=C(C=C2)Cl)/N)Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

8STT15Y392

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cytostat

2. Hydrochloride, Robenidine

3. Robenidine

4. Robenz

5. Robenzidene

6. Robenzidine

2.3.2 Depositor-Supplied Synonyms

1. 25875-50-7

2. Robenidine Hcl

3. Robenidine Hydrochoride

4. Robenzidine

5. Robenidine Hydrochloride [usan]

6. 1,2-bis[(e)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride

7. Robenidine Hydrochloride (usan)

8. Robenidine Hydrochloride 100 Microg/ml In Acetone:methanol

9. 1,3-bis((p-chlorobenzylidene)amino)guanidine Monohydrochloride

10. 8stt15y392

11. Robenidinehydrochloride

12. Carbonimidic Dihydrazide, Bis((4-chlorophenyl)methylene)-, Monohydrochloride

13. 1,3-bis[(e)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride

14. Robenidine Hcl Vetranal

15. Schembl3851893

16. Chembl2106896

17. 1,3-bis((4-chlorobenzylidene)amino)guanidine Monohydrochloride

18. Hy-b2157

19. Mfcd01724404

20. Robenidine Hydrochloride [mi]

21. S4876

22. Akos015900430

23. Ac-6798

24. Ccg-268301

25. Cs-8206

26. Robenidine Hydrochloride [mart.]

27. Bs-42469

28. Robenidine Hydrochloride [green Book]

29. D05741

30. 875r507

31. A818057

32. J-016154

33. Robenidine Hydrochloride 100 Microg/ml In Methanol

34. Robenidine Hydrochloride, Vetranal(tm), Analytical Standard

35. 1,2-bis[(4-chlorophenyl)methyleneamino]guanidine Hydrochloride

2.4 Create Date

2007-07-12

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₄Cl₃N₅
Molecular Weight	370.7 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	369.031479 g/mol
Monoisotopic Mass	369.031479 g/mol
Topological Polar Surface Area	75.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	408
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2