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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 72-40-2, 5-amino-1h-imidazole-4-carboxamide hydrochloride, 5-amino-4-imidazolecarboxamide hydrochloride, 5-aminoimidazole-4-carboxamide hydrochloride, Aic .cntdot. hcl, 21299-72-9

Molecular Formula

C₄H₇ClN₄O

Molecular Weight

162.58 g/mol

InChI Key

MXCUYSMIELHIQL-UHFFFAOYSA-N

FDA UNII

220691X0M3

1 2D Structure

1H-Imidazole-4-Carboxamide, 5-Amino-, Monohydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-1H-imidazole-5-carboxamide;hydrochloride

2.1.2 InChI

InChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H

2.1.3 InChI Key

MXCUYSMIELHIQL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=NC(=C(N1)C(=O)N)N.Cl

2.2 Other Identifiers

2.2.1 UNII

220691X0M3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 72-40-2

2. 5-amino-1h-imidazole-4-carboxamide Hydrochloride

3. 5-amino-4-imidazolecarboxamide Hydrochloride

4. 5-aminoimidazole-4-carboxamide Hydrochloride

5. Aic .cntdot. Hcl

6. 21299-72-9

7. 1h-imidazole-4-carboxamide, 5-amino-, Monohydrochloride

8. 4-amino-5-imidazolecarboxamide Hcl

9. 4-amino-1h-imidazole-5-carboxamide Hydrochloride

10. 4-amino-1h-imidazole-5-carboxamide;hydrochloride

11. 4-aminoimidazole-5-carboxamide Hydrochoride

12. 5-aminoimidazol-4-carboxamide, Hydrochloride

13. 4-amino-5-imidazolecarboxamide, Hcl

14. Mfcd00012704

15. Dacarbazine Related Compound A

16. 4-amino-5-imidazole Carboxamide Hydrochloride

17. 4-amino-1h-imidazole-5-carboxamide Xhydrochloride

18. 5-aminoimidazole-4-carboxamide Hcl

19. 4(5)-amino-5(4)-imidazolecarboxamide Hydrochloride

20. 1h-imidazole-4-carboxamide, 5-amino-, Hydrochloride

21. Imidazole-4-carboxamide, 5-amino-, Monohydrochloride

22. Nsc-113496

23. 1h-imidazole-4-carboxamide, 5-amino-, Hydrochloride (1:1)

24. 4-aminoimidazole-5-carboxamide Hydrochloride

25. 220691x0m3

26. Aminoimidazolecarboxamide Hydrochloride

27. Smr000685800

28. 5-amino-1h-imidazole-4-carboxamide Monohydrochloride

29. Einecs 200-778-3

30. Nsc 113496

31. Aminoimidazolecarboxamide Hcl

32. Ai3-26819

33. 5-amino-4-imidazole Carboxamide Hydrochloride

34. Unii-220691x0m3

35. Aica Hci

36. 5-amino-1h-imidazole-4-carboxamide Hcl

37. Aica Hydrochloride

38. 5-imidazolecarboxamide, 4-amino-, Hydrochloride

39. Mls000881124

40. Mls000881175

41. 5(4)-amino-4(5)-imidazolecarboxamide Hydrochloride

42. Schembl1775253

43. 5(4)-amino-4(5)-(aminocarbonyl)imidazole Hydrochloride

44. Chembl1563748

45. Amy4093

46. Dtxsid00883234

47. 5-aminoimidazole-4-carboxamide-hcl

48. Act02020

49. Bcp22933

50. Cs-m3470

51. Str05396

52. Nsc113496

53. Akos008069609

54. Akos015960415

55. Ps-8751

56. 5-amino-1h-imidazole-4-carboxamide, Hcl

57. Ac-11007

58. Imidazole-4-carboxamide, Monohydrochloride

59. Sy018912

60. 4-amino-5-carbamoylimidazole Hydrochloride

61. 4amino-5-imidazolecarboxamide Hydrochloride

62. 4-amino-5-carbamoyl Imidazole Hydrochloride

63. 4-amino-5-imidazolecaboxamide Hydrochloride

64. 4-aminoimidazol-5-carboxamide-hydrochloride

65. A1175

66. Ft-0617524

67. 1h-imidazole-4-carboxamide, Monohydrochloride

68. 5-amino-imidazole-4-carboxamide Hydrochloride

69. En300-30324

70. A-5563

71. Dacarbazine Related Compound A [usp-rs]

72. 5-amino-1h-imidazole-4-carboxamide;hydrochloride

73. 5-amino-1h-imidazole-4-carboxamidehydrochloride

74. 4-azanyl-1h-imidazole-5-carboxamide Hydrochloride

75. 5-amino-4-imidazolecarboxamide Hydrochloride, 98%

76. A837517

77. A905752

78. W-201870

79. Dacarbazine Related Compound A [usp Impurity]

80. Q27253591

81. F0001-1842

82. 5-amino-imidazole-4-carboxamide Hydrochloride Salt

83. 5-aminoimidazole-4-carboxamide-[13c2,15n] Hydrochloride Salt

84. Dacarbazine Related Compound A, United States Pharmacopeia (usp) Reference Standard

85. 2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylicacid,1,1-dimethylethylester

86. Aica; 5-aminoimidazole-4-carboxamide Hydrochloride;4-amino-5-imidazolecarboxamide Hydrochloride

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₄H₇ClN₄O
Molecular Weight	162.58 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	162.0308386 g/mol
Monoisotopic Mass	162.0308386 g/mol
Topological Polar Surface Area	97.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126
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