Prestwick3_000212

Synopsis, Chemistry

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Also known as: 33401-94-4, Pyrantel tartrate salt, Banminth, Pyrantel tartrate [usan], Pyrantel (tartrate), Pyrantel (+)-tartrate salt

Molecular Formula

C₁₅H₂₀N₂O₆S

Molecular Weight

356.4 g/mol

InChI Key

VWRCYAZJKNPEQR-NIEARKAZSA-N

FDA UNII

SC82VF0480

Broad spectrum anthelmintic for livestock.

1 2D Structure

Prestwick3_000212

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3R)-2,3-dihydroxybutanedioic acid;1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine

2.1.2 InChI

InChI=1S/C11H14N2S.C4H6O6/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10;5-1(3(7)8)2(6)4(9)10/h2,4-6,9H,3,7-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/b6-5+;/t;1-,2-/m.1/s1

2.1.3 InChI Key

VWRCYAZJKNPEQR-NIEARKAZSA-N

2.1.4 Canonical SMILES

CN1CCCN=C1C=CC2=CC=CS2.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

CN1CCCN=C1/C=C/C2=CC=CS2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

SC82VF0480

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Banminth

2. Tartrate, Pyrantel

2.3.2 Depositor-Supplied Synonyms

1. 33401-94-4

2. Pyrantel Tartrate Salt

3. Banminth

4. Pyrantel Tartrate [usan]

5. Pyrantel (tartrate)

6. Pyrantel (+)-tartrate Salt

7. Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)ethenyl)-, (e)-, (r-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

8. Sc82vf0480

9. (e)-1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)pyrimidine Tartrate (1:1)

10. Pyrequan Tartrate

11. Cp-10,423-18

12. Dsstox_cid_28784

13. Dsstox_rid_83053

14. Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)-, (e)-, Tartrate (1:1)

15. Dsstox_gsid_48858

16. (2r,3r)-2,3-dihydroxybutanedioic Acid;1-methyl-2-[(e)-2-thiophen-2-ylethenyl]-5,6-dihydro-4h-pyrimidine

17. Pyrantel Bitartrate

18. Pyrantel Hydrogen Tartrate

19. Banminth 48

20. Einecs 251-501-8

21. Unii-sc82vf0480

22. Cp 10423-18

23. (e)-1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine Tartrate (1:1)

24. Ncgc00017103-02

25. Banminth (tn)

26. Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)ethenyl]-, (e)-, (r-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

27. Cas-33401-94-4

28. Pyranteltartrate

29. Prestwick3_000212

30. Pyrantel Tartrate (usp)

31. Bspbio_000223

32. Schembl536109

33. Pyrantel Tartrate [mi]

34. Bpbio1_000247

35. Chembl2105309

36. Dtxsid4048858

37. Hms2095l05

38. Hms3712l05

39. Pyrantel Tartrate [usp-rs]

40. Tox21_113347

41. Akos016014952

42. Pyrantel Tartrate [green Book]

43. Tox21_113347_1

44. Ccg-220212

45. Cs-3870

46. Ncgc00174007-04

47. Pyrantel Tartrate [usp Monograph]

48. Hy-12641

49. 2(1h)-pyrimidinone, 4,6-diamino-5-nitroso-

50. D05657

51. A875297

52. Sr-01000872648

53. Sr-01000872648-1

54. Q27289138

55. Pyrantel Tartrate, United States Pharmacopeia (usp) Reference Standard

56. Trans-1-methyl-1,4,5,6-tetrahydro-2-(2-(thienyl)vinyl)pyrimidine Tartrate

57. (e)-1-methyl-2-(2-(thiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine (2r,3r)-2,3-dihydroxysuccinate

2.4 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₀N₂O₆S
Molecular Weight	356.4 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	356.10420754 g/mol
Monoisotopic Mass	356.10420754 g/mol
Topological Polar Surface Area	159 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	382
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anthelmintics

Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal. (See all compounds classified as Anthelmintics.)

Antinematodal Agents

Substances used in the treatment or control of nematode infestations. They are used also in veterinary practice. (See all compounds classified as Antinematodal Agents.)