056B031

Synopsis, Chemistry

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Also known as: 56-03-1, Imidodicarbonimidic diamide, Diguanide, 1-(diaminomethylidene)guanidine, Guanylguanidine, Hbig

Molecular Formula

C₂H₇N₅

Molecular Weight

101.11 g/mol

InChI Key

XNCOSPRUTUOJCJ-UHFFFAOYSA-N

FDA UNII

FB4Q52I9K2

Derivatives of biguanide (the structure formula HN(C(NH)NH2)2) that are primarily used as oral HYPOGLYCEMIC AGENTS for the treatment of DIABETES MELLITUS, TYPE 2 and PREDIABETES.

1 2D Structure

056B031

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(diaminomethylidene)guanidine

2.1.2 InChI

InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)

2.1.3 InChI Key

XNCOSPRUTUOJCJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(=NC(=N)N)(N)N

2.2 Other Identifiers

2.2.1 UNII

FB4Q52I9K2

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Biguanides

2.3.2 Depositor-Supplied Synonyms

1. 56-03-1

2. Imidodicarbonimidic Diamide

3. Diguanide

4. 1-(diaminomethylidene)guanidine

5. Guanylguanidine

6. Hbig

7. Fb4q52i9k2

8. 1,2,3-triimidodicarbonic Diamide

9. H2n-c(=nh)-nh-c(=nh)-nh2

10. Biguanides

11. Unii-fb4q52i9k2

12. Einecs 200-251-8

13. Duraplus

14. Isobiguanide

15. Biguanide [mi]

16. Ai3-52571

17. Biguanide [who-dd]

18. Schembl8039

19. Chebi:3095

20. Chembl4297654

21. Dtxsid7074664

22. Zinc4097424

23. Akos006273502

24. Akos015894538

25. Guanidine, (aminoiminomethyl)-

26. Db13100

27. [(diaminomethylidene)amino]methanimidamide

28. Ft-0659014

29. C07672

30. 056b031

31. A830895

32. Q142880

33. 4911-98-2

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂H₇N₅
Molecular Weight	101.11 g/mol
XLogP3	-1.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	101.07014524 g/mol
Monoisotopic Mass	101.07014524 g/mol
Topological Polar Surface Area	114 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	98.6
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	1