Creatine Monohydrate

Synopsis, Chemistry

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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

Creatine Monohydrate

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 Formula	C₄H₁₁N₃O₃
Molecular Weight	149.15 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	149.08004122 g/mol
Monoisotopic Mass	149.08004122 g/mol
Topological Polar Surface Area	91.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	134
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	2