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Technical details about MolPort-001-779-735, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 2-imino-1-methylimidazolidin-4-one, 1-methylglycocyamidine, 1-methylhydantoin-2-imide, 2-amino-3-methyl-4h-imidazol-5-one, Kreatininum, Kreatinin
Molecular Formula
C4H7N3O
Molecular Weight
113.12  g/mol
InChI Key
DDRJAANPRJIHGJ-UHFFFAOYSA-N
FDA UNII
AYI8EX34EU

Creatinine is a metabolite found in the aging mouse brain.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-3-methyl-4H-imidazol-5-one
2.1.2 InChI
InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
2.1.3 InChI Key
DDRJAANPRJIHGJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CC(=O)N=C1N
2.2 Other Identifiers
2.2.1 UNII
AYI8EX34EU
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Creatinine Sulfate Salt

2. Krebiozen

3. Salt, Creatinine Sulfate

4. Sulfate Salt, Creatinine

2.3.2 Depositor-Supplied Synonyms

1. 2-imino-1-methylimidazolidin-4-one

2. 1-methylglycocyamidine

3. 1-methylhydantoin-2-imide

4. 2-amino-3-methyl-4h-imidazol-5-one

5. Kreatininum

6. Kreatinin

7. 2-amino-1-methyl-1,5-dihydro-4h-imidazol-4-one

8. Nsc-13123

9. Chebi:16737

10. 2-amino-1-methyl-2-imidazolin-4-one

11. 2-amino-1,5-dihydro-1-methyl-4h-imidazol-4-one

12. Ncgc00095762-01

13. Creatinine (van) (8ci)

14. Dsstox_cid_25987

15. Dsstox_rid_81274

16. Dsstox_gsid_45987

17. 4h-imidazol-4-one, 2-imino-1,5-dihydro-1-methyl-

18. Cas-60-27-5

19. Creatinina

20. Creatinine, Anhydrous

21. Spectrum_000429

22. Creatinine [ii]

23. Creatinine [mi]

24. Spectrum2_000764

25. Spectrum3_001717

26. Spectrum4_001806

27. Spectrum5_000511

28. Bmse000155

29. Bmse000789

30. Bmse001001

31. Creatinine [mart.]

32. Creatinine [usp-rs]

33. Creatinine [who-dd]

34. Schembl16295

35. Bspbio_003334

36. Kbiogr_002415

37. Kbioss_000909

38. Mls001306430

39. Chembl65567

40. Divk1c_000351

41. Spectrum1600300

42. Spbio_000808

43. Creatinine, Anhydrous, >=98%

44. Hms501b13

45. Kbio1_000351

46. Kbio2_000909

47. Kbio2_003477

48. Kbio2_006045

49. Kbio3_002554

50. Ninds_000351

51. Creatinine, 98.5-102.0%

52. Hms2233p20

53. Hms3372l11

54. Pharmakon1600-01600300

55. Zinc967189

56. Tox21_111516

57. Ccg-40153

58. Nsc760435

59. S3102

60. Stk530885

61. Stl268897

62. 2-imino-1-methyl-imidazolidin-4-one

63. Akos000121140

64. Akos005458367

65. Tox21_111516_1

66. 2-imino-1-methyl-4-imidazolidinone #

67. Creatinine, Nist(r) Srm(r) 914a

68. Nsc-760435

69. Sdccgmls-0066864.p001

70. Idi1_000351

71. Ncgc00095762-02

72. Ncgc00095762-04

73. Ncgc00247664-01

74. 1-methylhydantoin-2-imide [inci]

75. 4h-imidazol-4-one,5-dihydro-1-methyl-

76. As-12671

77. Smr000718791

78. Imidazolidin-4-one, 2-imino-1-methyl

79. 2-amino-1-methyl-1,5-dihydro-imidazol-4-one

80. C-8560

81. C00791

82. D03600

83. Ab00052404_03

84. Ab00052404_04

85. 059c730

86. 2-amino-4,5-dihydro-1-methyl-1h-imidazol-4-one

87. 2-imino-1,5-dihydro-1-methyl-4h-imidazol-4-one

88. Sr-01000837526

89. Sr-01000837526-3

90. W-203248

91. F0001-1578

92. C5cf605c-9352-48f2-a5a4-561b97d42c30

93. Creatinine, United States Pharmacopeia (usp) Reference Standard

94. Creatinine, Pharmaceutical Secondary Standard; Certified Reference Material

95. 2-amino-1-methyl-2-imidazolin-4-one, 2-imino-1-methylimidazolidin-4-one, 2-imino-n-methylhydantoin

96. Creatinine Solution, 2.0 Mg/ml In Methanol: Water (1:1), Certified Reference Material, Ampule Of 1 Ml

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 113.12 g/mol
Molecular Formula C4H7N3O
XLogP3-1.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass113.058911855 g/mol
Monoisotopic Mass113.058911855 g/mol
Topological Polar Surface Area58.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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