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2D Structure
Also known as: 6020-87-7, 2-(1-methylguanidino)acetic acid hydrate, Creatine hydrate, Creatine, monohydrate, Creapure, Glycine, n-(aminoiminomethyl)-n-methyl-, monohydrate
Molecular Formula
C4H11N3O3
Molecular Weight
149.15  g/mol
InChI Key
MEJYXFHCRXAUIL-UHFFFAOYSA-N
FDA UNII
9603LN7R2Q

Creatine Monohydrate is the monohydrate form of creatine similar or identical to endogenous creatine produced in the liver, kidneys, and pancreas. Creatine, in phosphate form, helps supply energy to muscle cells for contraction. After intense effort, when ATP deposits are depleted, creatine phosphate donates phosphate groups toward the fast synthesis of ATP. Dietary supplementation with creatine may improve muscle wasting associated with cancer and other chronic diseases.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[carbamimidoyl(methyl)amino]acetic acid;hydrate
2.1.2 InChI
InChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2
2.1.3 InChI Key
MEJYXFHCRXAUIL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(CC(=O)O)C(=N)N.O
2.2 Other Identifiers
2.2.1 UNII
9603LN7R2Q
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 6020-87-7

2. 2-(1-methylguanidino)acetic Acid Hydrate

3. Creatine Hydrate

4. Creatine, Monohydrate

5. Creapure

6. Glycine, N-(aminoiminomethyl)-n-methyl-, Monohydrate

7. Creatine (monohydrate)

8. Mfcd00071582

9. 2-[carbamimidoyl(methyl)amino]acetic Acid;hydrate

10. 9603ln7r2q

11. N-amidinosarcosine Monohydrate

12. Unii-9603ln7r2q

13. Creatine-monohydrate

14. Schembl53010

15. Creatine Monohydrate 80 Mesh

16. Creatine Monohydrate, >=98%

17. Creatine Monohydrate 150 Mesh

18. Creatine Monohydrate 200 Mesh

19. Amy8957

20. Dtxsid10208954

21. Methylguanidoacetic Acid Monohydrate

22. S6023

23. Creatine Monohydrate [who-dd]

24. Creatine-[guanidino-13c] Monohydrate

25. N-amidinosarcosine Monohydrate

26. Akos002391125

27. Cs-w018178

28. Ds-9420

29. Hy-w017462

30. Ac-15066

31. Sy036143

32. Db-053557

33. Ft-0622269

34. A19430

35. D70219

36. Q-200892

37. Q27271832

38. Glycine, N-(aminoiminomethyl)-n-methyl-, Hydrate (1:1)

39. Creatine, United States Pharmacopeia (usp) Reference Standard

40. Glycine,n-(aminoiminomethyl)-n-(methyl-d3)-,monohydrate(9ci)

41. Glycine, N-(aminoiminomethyl)-n-(methyl-d3)-,monohydrate (9ci)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 149.15 g/mol
Molecular Formula C4H11N3O3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass149.08004122 g/mol
Monoisotopic Mass149.08004122 g/mol
Topological Polar Surface Area91.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2