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2D Structure
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

2D Structure

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 Weight 604.6 g/mol
Molecular Formula C36H32N2O7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass604.22095136 g/mol
Monoisotopic Mass604.22095136 g/mol
Topological Polar Surface Area151 Ų
Heavy Atom Count45
Formal Charge0
Complexity854
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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.)