Oxantel Pamoate

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Also known as: 68813-55-8, Telopar, Oxantel (pamoate), Oxantel embonate, Oxantel pamoate [usan], Oxantel pamoate (usan)

Molecular Formula

C₃₆H₃₂N₂O₇

Molecular Weight

604.6 g/mol

InChI Key

CCOAINFUFGBHBA-UETGHTDLSA-N

FDA UNII

UPY1D732T0

1 2D Structure

Oxantel Pamoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol

2.1.2 InChI

InChI=1S/C23H16O6.C13H16N2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-7,10,16H,3,8-9H2,1H3/b;7-6+

2.1.3 InChI Key

CCOAINFUFGBHBA-UETGHTDLSA-N

2.1.4 Canonical SMILES

CN1CCCN=C1C=CC2=CC(=CC=C2)O.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

2.1.5 Isomeric SMILES

CN1CCCN=C1/C=C/C2=CC(=CC=C2)O.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

UPY1D732T0

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Oxantel Embonate

2.3.2 Depositor-Supplied Synonyms

1. 68813-55-8

2. Telopar

3. Oxantel (pamoate)

4. Oxantel Embonate

5. Oxantel Pamoate [usan]

6. Oxantel Pamoate (usan)

7. Upy1d732t0

8. Cp-14445-16

9. 68813-55-8 (pamoate)

10. Nsc-759296

11. Cp-14,445-16

12. (e)-m-(2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)vinyl)phenol 4,4'-methylenebis(3-hydroxy-2-naphthoate) (1:1) (salt)

13. 2-naphthalenecarboxylic Acid, 4,4'-methylenebis[3-hydroxy-, Compd.with 3-[(1e)-2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]phenol(1:1)other Ca Index Names:phenol, 3-[(1e)-2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]-,4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (1:1) (salt)

14. Phenol, 3-(2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl), (e)-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1) (salt)

15. Oxanel Pamoate

16. (e)-3-(2-(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)vinyl)phenol 4,4'-methylenebis(3-hydroxy-2-naphthoate)

17. 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic Acid;3-[(e)-2-(1-methyl-5,6-dihydro-4h-pyrimidin-2-yl)ethenyl]phenol

18. Telopar (tn)

19. Unii-upy1d732t0

20. Hms2093l04

21. Einecs 272-332-6

22. Cp 14,445-16

23. Oxantel Pamoate [mi]

24. Schembl601272

25. Chebi:7821

26. Schembl17801965

27. Chebi:93155

28. Amy3614

29. Oxantel Embonate [mart.]

30. Oxantel Embonate [who-dd]

31. Pharmakon1600-01505982

32. Hy-b1344

33. Oxantel Pamoate, Analytical Standard

34. Nsc759296

35. S5722

36. Akos026749864

37. Ccg-213588

38. Cs-5877

39. Nsc 759296

40. Ncgc00263960-01

41. 4,4'-methylenebis(3-hydroxy-2-naphthoic) Acid, Compound With (e)-3-(2-(1,4,5,6-tetrahydro-1-methylpyrimidin-2-yl)vinyl)phenol (1:1)

42. 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic Acid,3-[(e)-2-(1-methyl-5,6-dihydro-4h-pyrimidin-2-yl)ethenyl]phenol

43. Bs-42477

44. Sbi-0206880.p001

45. D00806

46. Sr-05000001812

47. Sr-05000001812-1

48. Q27164876

49. Q27291192

50. 2-naphthalenecarboxylic Acid, 4,4'-methylenebis[3-hydroxy-, Compd.with 3-[(1e)-2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]phenol(1:1)

51. 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic Acid 3-[2-(1-methyl-5,6-dihydro-4h-pyrimidin-2-yl)ethenyl]phenol

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₃₂N₂O₇
Molecular Weight	604.6 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	604.22095136 g/mol
Monoisotopic Mass	604.22095136 g/mol
Topological Polar Surface Area	151 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	854
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

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.)