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Chemistry

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Also known as: 1641-74-3, Euclidan, Provasan, Soclidan, 2-(diethylamino)ethyl nicotinate 2-hydroxypropane-1,2,3-tricarboxylate, Manlate
Molecular Formula
C18H26N2O9
Molecular Weight
414.4  g/mol
InChI Key
IABBAGAOMDWOCW-UHFFFAOYSA-N
FDA UNII
1S708RDJ0V

Nicametate Citrate
1 2D Structure

Nicametate Citrate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(diethylamino)ethyl pyridine-3-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
2.1.2 InChI
InChI=1S/C12H18N2O2.C6H8O7/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10H,3-4,8-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
2.1.3 InChI Key
IABBAGAOMDWOCW-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
1S708RDJ0V
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-(diethylaminoethyl)nicotinate Citrate

2. Euclidan

3. Nicametate

4. Provasan

2.3.2 Depositor-Supplied Synonyms

1. 1641-74-3

2. Euclidan

3. Provasan

4. Soclidan

5. 2-(diethylamino)ethyl Nicotinate 2-hydroxypropane-1,2,3-tricarboxylate

6. Manlate

7. Eucast

8. Euclidan, Citrate

9. Nicametate Dihydrogen Citrate

10. 53 Iic

11. Nicametate Citrate [jan]

12. 2-diethylaminoethyl Nicotinate Citrate

13. Einecs 216-694-5

14. Unii-1s708rdj0v

15. Nsc 169477

16. Nutrin

17. 1s708rdj0v

18. 3-pyridinecarboxylic Acid, 2-(diethylamino)ethyl Ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

19. 53-11 C

20. Dtxsid4046733

21. 3-diethylaminoethoxycarbonylpyridine Citrate

22. Nicotinic Acid, 2-(diethylamino)ethyl Ester, Citrate (1:1)

23. Nicametate Citrate (jan)

24. Nsc-169477

25. Dtxcid2026733

26. 3-pyridinecarboxylic Acid, 2-(diethylamino)ethyl Ester, Citrate (1:1)

27. 2-(diethylamino)ethyl Pyridine-3-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic Acid

28. Nicametate Dihydrogen Citrate [who-dd]

29. Diethyl(2-(3-pyridiniocarbonyloxy)ethyl)ammonium Hydrogen Citrate

30. Schembl194781

31. Chembl3188119

32. Chebi:31901

33. Nicotinic Acid, Citrate (1:1)

34. Iabbagaomdwocw-uhfffaoysa-n

35. C18h26n2o9

36. Baa64174

37. Tox21_112576

38. Nsc169477

39. Akos015901251

40. 2-(diethylamino)ethyl Pyridine-3-carboxylate,2-hydroxypropane-1,2,3-tricarboxylic Acid

41. Bs-52916

42. Cas-1641-74-3

43. Ns00083452

44. D01232

45. E85625

46. Q27252829

47. 3-pyridinecarboxylic Acid, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

48. 216-694-5

49. 3-pyridinecarboxylic Acid, 2-(diethylamino)ethyl Ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (9ci)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 414.4 g/mol
Molecular Formula C18H26N2O9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area175
Heavy Atom Count29
Formal Charge0
Complexity433
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
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.)


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