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Chemistry

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Also known as: Xanthinol nicotinate, 437-74-1, Xantinol nicotinate, Complamin, Angioamin, Teonicol
Molecular Formula
C19H26N6O6
Molecular Weight
434.4  g/mol
InChI Key
GEPMAHVDJHFBJI-UHFFFAOYSA-N
FDA UNII
8G60H12X2D

Xanthinol Nicotinate
A vasodilator used in peripheral vascular disorders and insufficiency. It may cause gastric discomfort and hypotension.
1 2D Structure

Xanthinol Nicotinate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic acid
2.1.2 InChI
InChI=1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)
2.1.3 InChI Key
GEPMAHVDJHFBJI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O.C1=CC(=CN=C1)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
8G60H12X2D
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Complamin

2. Complamine

3. Komplamin

4. Niacinate, Xanthinol

5. Nicotinate, Xanthinol

6. Nicotinate, Xantinol

7. Sadamin

8. Sadamine

9. Teonicol

10. Xanthinol Nicotinate

11. Xantinol Nicotinate

12. Xantinol-nicotinat-ratiopharm

13. Xavin

2.3.2 Depositor-Supplied Synonyms

1. Xanthinol Nicotinate

2. 437-74-1

3. Xantinol Nicotinate

4. Complamin

5. Angioamin

6. Teonicol

7. Complamex

8. Landrina

9. Sadamine

10. Stenalgil

11. Xanidil

12. Vedrin

13. Complamin Retard

14. Xavin

15. Xanthinol Niacinate [usan]

16. Sk 331 A

17. Xantinol Nicotinate [inn]

18. Nsc-113217

19. Xanthinol Niacinate (usan)

20. Mls000028609

21. Sk 331a

22. 8g60h12x2d

23. Nsc113217

24. Nicotinic Acid, Compd. With 3,7-dihydro-7-(2-hydroxy-3-((2-hydroxyethyl) Methylamino)propyl)-1,3-dimethyl-1h-purine-2,6-dione

25. Ncgc00021151-02

26. Angiomin

27. Sadamin

28. Smr000058741

29. 3-pyridinecarboxylic Acid Compd. With 3,7-dihydro-7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)-1,3-dimethyl-1h-purine-2,6-dione (1:1)

30. 7-(2-hydroxy-3-((2-hydroxyethyl)(methyl)amino)propyl)-1,3-dimethyl-1h-purine-2,6(3h,7h)-dione Nicotinate

31. 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic Acid

32. Xanthinolium Nicotinicum

33. Xantinoli Nicotinas

34. Xantinolo Nicotinato [dcit]

35. 7-{2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl}theophylline, Compound With Nicotinic Acid (1:1)

36. Nicotinic Acid, Compd. With 7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline (1:1)

37. Xantinolo Nicotinato

38. Nicotinate De Xantinol

39. Nicotinato De Xantinol

40. Xantinoli Nicotinas [inn-latin]

41. Einecs 207-115-7

42. Nicotinate De Xantinol [inn-french]

43. Nicotinato De Xantinol [inn-spanish]

44. Methoxylin, Compd. With Nicotinic Acid

45. Nsc 113217

46. Unii-8g60h12x2d

47. Angioamincomplamin

48. Complamin (tn)

49. 7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline, Compound With Nicotinic Acid (1:1)

50. 7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline, Compound With Nicotinic Acid (1:1)

51. Opera_id_260

52. 7-(3-(n-(2-hydroxyethyl)amino)-2-hydroxypropyl)thiophylline Nicotinate

53. Dsstox_cid_3743

54. Xantinol Nicotinate ,(s)

55. 7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline Compd. With Nicotinic Acid

56. Dsstox_rid_77178

57. Dsstox_gsid_23743

58. 7- 2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl Theophylline, Compound With Nicotinic Acid (1:1)

59. Mls001148608

60. Mls001424204

61. Mls006010909

62. Schembl121655

63. Chembl1560089

64. Dtxsid0023743

65. Xanthinol Niacinate [mi]

66. Hms2052e09

67. Hms2230j12

68. Hms3371o12

69. Hms3394e09

70. Hy-b1815

71. Xantinol Nicotinate [mart.]

72. Tox21_110866

73. Mfcd00058342

74. S4868

75. Xantinol Nicotinate [who-dd]

76. Akos005267237

77. Ccg-101097

78. Ccg-269063

79. Nc00347

80. Ncgc00164435-01

81. 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione; Nicotinic Acid

82. As-11613

83. Cas-437-74-1

84. Nicotinic Acid, Compd. With 7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline(1:1)

85. Db-051164

86. Cs-0013860

87. Ft-0603393

88. D06334

89. E75972

90. A913692

91. Sr-01000000242

92. Q5814478

93. Sr-01000000242-4

94. 3-pyridinecarboxylic Acid Compd. With 3,3-dimethyl-1h-purine-2,6-dione (1:1)

95. (+/-)-7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline, Compound With Nicotinic Acid (1:1)

96. {7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline,} Compound With Nicotinic Acid (1:1)

97. 3-pyridinecarboxylic Acid & {3,7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,} 3-dimethyl-1h-purine-2,6-dione (1:1)

98. 3-pyridinecarboxylic Acid, Compd. With 3, {7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,} 3-dimethyl-1h-purine-2,6-dione (1:1)

99. 3-pyridinecarboxylic Acid,7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,3-dimethyl-1h-purine-2,6-dione (1:1)

100. 7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione; Pyridine-3-carboxylic Acid

101. Nicotinic Acid Compound With 7-(2-hydroxy-3-((2-hydroxyethyl)(methyl)amino)propyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (1:1)

102. Nicotinic Acid, Compd. With {7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline} (1:1)

103. Pyridine-3-carboxylic Acid - 7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (1:1)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 434.4 g/mol
Molecular Formula C19H26N6O6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass434.19138257 g/mol
Monoisotopic Mass434.19138257 g/mol
Topological Polar Surface Area152 Ų
Heavy Atom Count31
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Vasodilator Agents

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)


4.2 ATC Code

C - Cardiovascular system

C04 - Peripheral vasodilators

C04A - Peripheral vasodilators

C04AD - Purine derivatives

C04AD02 - Xantinol nicotinate


API SUPPLIERS

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Ami Lifesciences Private Limited

India

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AMI Lifesciences

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Omkrown Pharmachem Pvt Ltd

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

CPHI Middle east
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Veer-Chemie & Aromatics

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

CPHI Middle east
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Xanthinol Nicotinate

About the Company : Ami Lifesciences, established in 2006, is one of the fastest growing API manufacturing companies in India. Specializing in cardiovascular, anti-diabetic, CNS, and respiratory thera...

Ami Lifesciences, established in 2006, is one of the fastest growing API manufacturing companies in India. Specializing in cardiovascular, anti-diabetic, CNS, and respiratory therapeutic areas, Ami offers a wide range of APIs, intermediates, key starting materials, as well as contract bulk manufacturing services. Ami's manufacturing units in Gujarat and Karnataka feature dedicated clean rooms for APIs and adhere to international standards like EU-GMP, WHO-GMP, PMDA, and COFEPRIS. Ami serves as a reliable partner for contract development and manufacturing, offering generic APIs to global pharma companies across more than 60 countries.
AMI Lifesciences

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CPHI Middle east
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XANTHINOL NIACINATE

About the Company : Omkrown Pharmachem Pvt Ltd is a private limited company located in Belgaum, India and is engaged in the manufacturing of Active Pharmaceutical ingredients and bulk drug intermediat...

Omkrown Pharmachem Pvt Ltd is a private limited company located in Belgaum, India and is engaged in the manufacturing of Active Pharmaceutical ingredients and bulk drug intermediates. The company has been established in 1997 with a vision to establish global presence in bulk drugs, drug intermediates and specialty chemicals.
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CPHI Middle east
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Xanthinol Nicotinate

About the Company : In the early seventies, the founders of Veer-Chemie envisaged the production of Vitamins in their home country — India. From this vision, came the birth of the first private lim...

In the early seventies, the founders of Veer-Chemie envisaged the production of Vitamins in their home country — India. From this vision, came the birth of the first private limited company to manufacture Vitamin B3. Starting with a modest capacity of 150 kgs, it has not only withstood the tide of time, but has also flourished and grown into one of the most trusted, reliable, quality conscious and one of the largest manufacturers of Vitamin B3 globally.
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