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Pentolinium Tartrate

Pentolinium Tartrate

Synopsis, Chemistry

DOSSIERs // Finished Dosage Formulations

1 Dossiers, 1 FDA Orange Book

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Also known as: Pentolonium tartrate, Ansolysen, Tensilest, Pendine, Recuryl, Pentalinium tartrate

Molecular Formula

C₂₃H₄₂N₂O₁₂

Molecular Weight

538.6 g/mol

InChI Key

HSMKTIKKPMTUQH-WBPXWQEISA-L

FDA UNII

953357GACY

A nicotinic antagonist that has been used as a ganglionic blocking agent in hypertension.

1 2D Structure

Pentolinium Tartrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate

2.1.2 InChI

InChI=1S/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2/t;2*1-,2-/m.11/s1

2.1.3 InChI Key

HSMKTIKKPMTUQH-WBPXWQEISA-L

2.1.4 Canonical SMILES

C[N+]1(CCCC1)CCCCC[N+]2(CCCC2)C.C(C(C(=O)[O-])O)(C(=O)O)O.C(C(C(=O)[O-])O)(C(=O)O)O

2.1.5 Isomeric SMILES

C[N+]1(CCCC1)CCCCC[N+]2(CCCC2)C.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

953357GACY

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Pentolinium

2. Pentolonium Tartrate

3. Tartrate, Pentolinium

4. Tartrate, Pentolonium

2.3.2 Depositor-Supplied Synonyms

1. Pentolonium Tartrate

2. Ansolysen

3. Tensilest

4. Pendine

5. Recuryl

6. Pentalinium Tartrate

7. Pentolonii Tartras

8. Pentolinium Di[l(+)-tartrate]

9. 52-62-0

10. Pentapyrrolidium Bitartrate

11. Tartrato De Pentolonio

12. Tartrate De Pentolonium

13. Pentolinium Ditartrate

14. Pentolonium Tartrate [inn]

15. Pentamethylene-1,5-bis(1'-methylpyrrolidinium Tartrate)

16. Chebi:55326

17. 1,1'-pentamethylenebis(1-methylpyrrolidinium Hydrogen Tartrate)

18. 953357gacy

19. Nsc-759890

20. Pentilium

21. Ansolysen Tartrate

22. Pyrrolidinium 1,1'-(1,5-pentanediyl)bis-(1-methyl-, (r-(r*,r*))-2,3-dihydroxybutanedioate

23. Ansolysen Bitartrate

24. Pentolinio Tartrato

25. Pentolinio Tartrato [dcit]

26. Pentolonii Tartras [inn-latin]

27. Mb 2050a

28. Einecs 200-146-7

29. Tartrate De Pentolonium [inn-french]

30. Tartrato De Pentolonio [inn-spanish]

31. Pentolinium Tartrate [nf]

32. Unii-953357gacy

33. Pentoloniumtartrat

34. Pentolineum Tartrate

35. 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium;(2r,3r)-2,3,4-trihydroxy-4-oxobutanoate

36. 1,1'-pentamethylenebis(1-methylpyrrolidinium Tartrate)

37. Sr-01000075173

38. Tartaric Acid, Ion(1-), 1,1'-pentamethylenebis(1-methylpyrrolidinium) (2:1)

39. Pentolonum Bitartrate

40. Butanoic Acid, 2,3-dihydroxy- (2r,3r)-, Ion(1-), 1,1'-(1,5-pentanediyl)bis(1-methylpyrrolidinium) (2:1)

41. Schembl309647

42. Chembl1318287

43. Pentolinium Tartrate [mi]

44. Hms2095f17

45. Hms3262b18

46. Hms3712f17

47. Hy-b1219

48. Pyrrolidinium, 1,1'-pentamethylenebis(1-methyl-, Tartrate (1:2)

49. Tox21_500888

50. Pentolonium Tartrate [mart.]

51. Pentolonium Tartrate [who-dd]

52. Akos026750069

53. Ccg-220188

54. Ccg-222192

55. Lp00888

56. Nsc 759890

57. Ncgc00094207-01

58. Ncgc00094207-02

59. Ncgc00094207-03

60. Ncgc00261573-01

61. Pentolinium Tartrate [orange Book]

62. Pyrrolidinium, 1,1'-(1,5-pentanediyl)bis(1-methyl-, Salt With (r-(r*,r*))-2,3-dihydroxybutanedioic Acid (1:2)

63. Eu-0100888

64. P 3520

65. Sr-01000075173-1

66. Q27124229

67. 1,1'-(pentane-1,5-diyl)bis(1-methylpyrrolidinium) (2r,3r)-3-carboxy-2,3-dihydroxypropanoate

68. 1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium) Bis[(2r,3r)-3-carboxy-2,3-dihydroxypropanoate]

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₄₂N₂O₁₂
Molecular Weight	538.6 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	10
Exact Mass	538.27377478 g/mol
Monoisotopic Mass	538.27377478 g/mol
Topological Polar Surface Area	236 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	347
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antihypertensive Agents

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)

Nicotinic Antagonists

Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses. (See all compounds classified as Nicotinic Antagonists.)

Ganglionic Blockers

Agents having as their major action the interruption of neural transmission at nicotinic receptors on postganglionic autonomic neurons. Because their actions are so broad, including blocking of sympathetic and parasympathetic systems, their therapeutic use has been largely supplanted by more specific drugs. They may still be used in the control of blood pressure in patients with acute dissecting aortic aneurysm and for the induction of hypotension in surgery. (See all compounds classified as Ganglionic Blockers.)