CAS-130-85-8

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Also known as: 130-85-8, Embonic acid, 4,4'-methylenebis(3-hydroxy-2-naphthoic acid), Pamosaeure, 2-naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-, Nsc30188

Molecular Formula

C₂₃H₁₆O₆

Molecular Weight

388.4 g/mol

InChI Key

WLJNZVDCPSBLRP-UHFFFAOYSA-N

FDA UNII

7RRQ8QZ38N

1 2D Structure

CAS 130-85-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid

2.1.2 InChI

InChI=1S/C23H16O6/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/h1-10,24-25H,11H2,(H,26,27)(H,28,29)

2.1.3 InChI Key

WLJNZVDCPSBLRP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

7RRQ8QZ38N

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4,4'-methylenebis(3-hydroxy)-2-naphthoic Acid Naphthalenecarboxylic Acid

2. Embonic Acid

3. Pamoic Acid, Dicesium Salt

4. Pamoic Acid, Dilithium Salt

5. Pamoic Acid, Dipotassium Salt

6. Pamoic Acid, Dirubidium Salt

7. Pamoic Acid, Disodium Salt

8. Sodium Pamoate

2.3.2 Depositor-Supplied Synonyms

1. 130-85-8

2. Embonic Acid

3. 4,4'-methylenebis(3-hydroxy-2-naphthoic Acid)

4. Pamosaeure

5. 2-naphthalenecarboxylic Acid, 4,4'-methylenebis[3-hydroxy-

6. Nsc30188

7. 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic Acid

8. Mfcd00004079

9. Nsc-30188

10. 1,1'-methylene-bis(2-hydroxy-3-naphthoic Acid)

11. 7rrq8qz38n

12. 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylic Acid)

13. Chembl177880

14. 2-naphthalenecarboxylic Acid, 4,4'-methylenebis(3-hydroxy-

15. Chebi:50186

16. 2-naphthoic Acid, 4,4'-methylenebis(3-hydroxy-

17. Ncgc00013369-03

18. 4,4'-methylen-bis-(3-hydroxy-2-naphthoesaeure)

19. 4,4'-methylenebis(3-hydroxynaphthalene-2-carboxylic Acid)

20. 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic Acid

21. Smr000544945

22. 2-naphthoic Acid,4'-methylenebis[3-hydroxy-

23. Einecs 204-998-0

24. Nsc 30188

25. Unii-7rrq8qz38n

26. 2-naphthalenecarboxylic Acid,4'-methylenebis[3-hydroxy-

27. Brn 0901319

28. 3,3'-dihydroxy-4,4'-methylenedi(2-naphthoic Acid)

29. Embonicacid

30. Ai3-14604

31. 4,4'-methylenedi(3-hydroxy-2-naphthoic Acid)

32. 4,4'-methylen-bis-(3-hydroxy-2-naphthoesaeure

33. Pamoic Acid,(s)

34. Embonic Acid, 98%

35. 1,1'-dinaphthylmethan-2,2'-dihydroxy-3,3'-dicarbonsaeure

36. Embonic Acid, Pamoic Acid

37. Pamoic Acid [mi]

38. Schembl5721

39. Ncistruc1_001097

40. Ncistruc2_001188

41. Dsstox_cid_28910

42. Dsstox_rid_83178

43. Dsstox_gsid_48984

44. Oprea1_344667

45. 4-10-00-02362 (beilstein Handbook Reference)

46. Cid_25096

47. Mls004773913

48. Mls006011716

49. Pamoic Acid [usp-rs]

50. Pamoic Acid [who-dd]

51. Gtpl2920

52. Dtxsid9048984

53. Bdbm38549

54. Hms3749i13

55. Zinc538152

56. Pamoic Acid, >=97.0% (t)

57. Amy13635

58. Bcp17325

59. Cs-b1767

60. Nci30188

61. Nsc40132

62. Tox21_113446

63. Ac8068

64. Ccg-37117

65. Ncgc00013369

66. Nsc-40132

67. Stk793148

68. Akos002347371

69. Hy-w008613

70. Ks-5172

71. 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic Acid

72. Ncgc00013369-02

73. Ncgc00096485-01

74. Ncgc00096485-02

75. Cas-130-85-8

76. Nci60_002537

77. Sy038966

78. Db-014958

79. Ds-005180

80. Ft-0631761

81. P0761

82. A806156

83. L019618

84. Q411413

85. W-108343

86. 4,4?-methylenebis(3-hydroxy-2-naphthoic Acid)

87. 2,2'-dihydroxy-1,1'-dinaphthylmethane-3,3'-dicarboxylic Acid

88. 4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic Acid)

89. Pamoic Acid, United States Pharmacopeia (usp) Reference Standard

90. Pyrantel Embonate Related Compound Pamoic Acid [usp Impurity]

91. 4,4 Inverted Exclamation Mark -methylenebis(3-hydroxy-2-naphthoic Acid)

92. Pamoic Acid, Pharmaceutical Secondary Standard; Certified Reference Material

93. 108626-78-4

94. 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic Acid;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]ethanol

95. 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic Acid;2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]ethanol

96. 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic Acid;2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanol

97. Jbr

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₁₆O₆
Molecular Weight	388.4 g/mol
XLogP3	5.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	388.09468823 g/mol
Monoisotopic Mass	388.09468823 g/mol
Topological Polar Surface Area	115 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	569
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1