Iol Chemicals And Pharmaceuticals

CAS 84689-20-3

Chemistry, 8 End Use API, 12 Related Intermediates

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Also known as: 84689-20-3, 2-(2,3-dichlorophenyl)-2-guanidinyliminoacetonitrile, 94213-24-8, Wz570674rf, (1e)-2,3-dichloro-n-(diaminomethylideneamino)benzenecarboximidoyl cyanide, (2,3-dichlorophenyl)(guanidinylimino)acetonitrile, (e)-

Molecular Formula

C₉H₇Cl₂N₅

Molecular Weight

256.09 g/mol

InChI Key

BXDSJOGMJUKSAE-CHHVJCJISA-N

FDA UNII

WZ570674RF

1 2D Structure

CAS 84689-20-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1E)-2,3-dichloro-N-(diaminomethylideneamino)benzenecarboximidoyl cyanide

2.1.2 InChI

InChI=1S/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)/b15-7-

2.1.3 InChI Key

BXDSJOGMJUKSAE-CHHVJCJISA-N

2.1.4 Canonical SMILES

C1=CC(=C(C(=C1)Cl)Cl)C(=NN=C(N)N)C#N

2.1.5 Isomeric SMILES

C1=CC(=C(C(=C1)Cl)Cl)/C(=N\N=C(N)N)/C#N

2.2 Other Identifiers

2.2.1 UNII

WZ570674RF

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (e)-2-(2,3-dichlorophenyl)-2-(guanidinylimino)acetonitrile

2. 13w80

2.3.2 Depositor-Supplied Synonyms

1. 84689-20-3

2. 2-(2,3-dichlorophenyl)-2-guanidinyliminoacetonitrile

3. 94213-24-8

4. Wz570674rf

5. (1e)-2,3-dichloro-n-(diaminomethylideneamino)benzenecarboximidoyl Cyanide

6. (2,3-dichlorophenyl)(guanidinylimino)acetonitrile, (e)-

7. 2-[cyano(2,3-dichlorophenyl)methylene]-hydrazine Carboximidamide

8. 13w80

9. (e)-3-(cyano(2,3-dichlorophenyl)methylene)carbazamidine

10. N'-carbamimidoyl-2,3-dichlorobenzohydrazonoyl Cyanide

11. Einecs 303-726-9

12. Unii-501dur70u5

13. Unii-wz570674rf

14. (2,3-dichlorophenyl)(guanidinylimino)acetonitrile

15. 2-[cyano(2,3-dichlorophenyl)methylene]hydrazine Carboximidamide

16. 501dur70u5

17. Dtxsid301162145

18. 94213-23-7

19. Amy40804

20. Zinc21986332

21. Lamotrigine Impurity B [ep Impurity]

22. 689d203

23. (z)-(2,3-dichlorophenyl)(guanidinylimino)acetonitrile

24. 1-(alpha-cyano-2,3-dichlorobenzylideneamino)guanidine

25. Q27231289

26. 2-(2,3-dichlorphenyl)-2-(guanidinylimino)acetonitrile

27. (z)-2-(2,3-dichlorophenyl)-2-(guanidinoimino)acetonitrile

28. (e)-2-(2,3-dichlorophenyl)-2-(guanidinylimino)acetonitrile

29. (2e)-2-[cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide

30. 2-[(e)-cyano(2,3-dichlorophenyl)methylene]hydrazinecarbimide Amide

31. 2-[(z)-cyano(2,3-dichlorophenyl)methylene]hydrazinecarbimide Amide

32. (2e)-(2-(diaminomethylidene)diazanylidene)(2,3-dichlorophenyl)acetonitrile

33. Hydrazinecarboximidamide, 2-(cyano(2,3-dichlorophenyl)methylene)-, (2e)-

2.4 Create Date

2006-05-02

3 Chemical and Physical Properties

Molecular Formula	C₉H₇Cl₂N₅
Molecular Weight	256.09 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	255.0078506 g/mol
Monoisotopic Mass	255.0078506 g/mol
Topological Polar Surface Area	101 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	352
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	1

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Lamotrigine

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CAS Number

84689-20-3

Intermediate Name

2-(2,3-Dichlorophenyl)-2-Guanidinyl...

About the Company

With a history spanning over three decades, IOL Chemicals and Pharmaceuticals Limited is an innovation-dr...

With a history spanning over three decades, IOL Chemicals and Pharmaceuticals Limited is an innovation-driven company that specializes in bulk drugs, intermediates and specialty chemicals. As an API-based company, IOL Chemicals has substantial manufacturing capacities that provide economies of scale and cost advantages. It also has extensive expertise in specialty chemicals. IOL Chemicals’ API portfolio includes various therapeutic categories such as pain management, anti-diabetic, anti-hypertensive and anti-convulsant. IOL Chemicals is a backward-integrated company that produces all intermediates and key starting materials for ibuprofen.