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CAS 130-85-8
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CAS 130-85-8
Also known as: Embonic acid, 130-85-8, 4,4'-methylenebis(3-hydroxy-2-naphthoic acid), Pamosaeure, Unii-7rrq8qz38n, Nsc30188
Molecular Formula
C23H16O6
Molecular Weight
388.375  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 Depositor-Supplied Synonyms

1. Embonic Acid

2. 130-85-8

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

4. Pamosaeure

5. Unii-7rrq8qz38n

6. Nsc30188

7. 2-naphthalenecarboxylic Acid, 4,4'-methylenebis[3-hydroxy-

8. Einecs 204-998-0

9. Nsc 30188

10. Brn 0901319

11. Ai3-14604

12. Pamoic Acid 98+% (hplc)

13. Chembl177880

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

15. Chebi:50186

16. 4,4'-methylen-bis-(3-hydroxy-2-naphthoesaeure

17. Wljnzvdcpsblrp-uhfffaoysa-n

18. 2-naphthoic Acid, 4,4'-methylenebis(3-hydroxy-

19. C23h16o6

20. 3,3'-dihydroxy-4,4'-methylenedi(2-naphthoic Acid)

21. Mfcd00004079

22. Nsc-30188

23. 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic Acid

24. 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylic Acid)

25. Ncgc00013369-03

26. 1,1'-dinaphthylmethan-2,2'-dihydroxy-3,3'-dicarbonsaeure

27. Ak114172

28. St50307984

29. 1,1'-methylene-bis(2-hydroxy-3-naphthoic Acid)

30. 4,4'-methylen-bis-(3-hydroxy-2-naphthoesaeure)

31. 4,4'-methylene-bis-[2-hydroxy-3-naphthoic Acid]

32. W-108343

33. 4,4'-methylenebis(3-hydroxynaphthalene-2-carboxylic Acid)

34. 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic Acid

35. 50857-36-8

36. Smr000544945

37. 2-naphthoic Acid,4'-methylenebis[3-hydroxy-

38. 2-naphthalenecarboxylic Acid,4'-methylenebis[3-hydroxy-

39. 4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylic Acid]

40. Embionic Acid

41. 2,2'-dihydroxy-1,1'-dinaphthylmethane-3,3'-dicarboxylic Acid

42. Embonic Acid, 98%

43. Pubchem17239

44. Ac1q5upb

45. Embonic Acid, Pamoic Acid

46. D04byu

47. 4,4'-methylenedi(3-hydroxy-2-naphthoic Acid)

48. Ac1l1r7p

49. Schembl5721

50. Ncistruc1_001097

51. Ncistruc2_001188

52. 7rrq8qz38n

53. Dsstox_cid_28910

54. Dsstox_rid_83178

55. Dsstox_gsid_48984

56. Oprea1_344667

57. 4-10-00-02362 (beilstein Handbook Reference)

58. Cid_25096

59. Mls004773913

60. Mls006011716

61. Gtpl2920

62. Jsp001861

63. Dtxsid9048984

64. Bdbm38549

65. Ctk5c7563

66. Molport-000-563-821

67. Zinc538152

68. Pamoic Acid, >=97.0% (t)

69. Cs-b1767

70. Ks-000001cu

71. Nci30188

72. Nsc40132

73. Tox21_113446

74. 68226-93-7 (di-cesium Salt)

75. Ccg-37117

76. Ncgc00013369

77. Nsc-40132

78. Stk793148

79. 59413-58-0 (di-lithium Salt)

80. 68226-94-8 (di-rubidium Salt)

81. 68226-95-9 (di-potassium Salt)

82. Akos002347371

83. 6640-22-8 (di-hydrochloride Salt)

84. Api0003739

85. Ks-5172

86. Mcule-5497288088

87. Ncgc00013369-02

88. Ncgc00096485-01

89. Ncgc00096485-02

90. Aj-23380

91. An-43661

92. Cas-130-85-8

93. Cc-33467

94. Ls-95382

95. Nci60_002537

96. Or020240

97. Or183210

98. Or212875

99. Ax8127229

100. Tr-004218

101. Ft-0631761

102. P0761

103. St24028658

104. V0343

105. 4,4-methylenebis(3-hydroxy-2-naphthoic Acid)

106. 11056-ep2269610a2

107. 11056-ep2270002a1

108. 11056-ep2277848a1

109. 11056-ep2289510a1

110. 11056-ep2289879a1

111. 11056-ep2292611a1

112. 11056-ep2295411a1

113. 11056-ep2301544a1

114. 11056-ep2311810a1

115. 11056-ep2314295a1

116. 11056-ep2314575a1

117. 11056-ep2316457a1

118. 11056-ep2316458a1

119. 11056-ep2316825a1

120. 11056-ep2316826a1

121. 11056-ep2316827a1

122. 11056-ep2316828a1

123. 4,4'-methylene Bis-(3-hydroxy-2-napthoic Acid)

124. 4-4'-methylene-bis-[2-hydroxy-3-naphthoic Acid]

125. C-30161

126. L019618

127. I14-10567

128. 2,2'-dihydroxy-1,1'-dinaphthylmethane 3,3'-dicarboxylic Acid

129. 4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic Acid)

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

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

132. 4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic Acid

133. 4-[(3-carboxy-2-hydroxynaphthyl)methyl]-3-hydroxynaphthalene-2-carboxylic Acid

134. 108626-78-4

135. 122541-93-9

136. 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic Acid;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]ethanol

137. 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic Acid;2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]ethanol

138. 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

139. 47620-91-7

140. 67232-45-5

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 388.375 g/mol
Molecular Formula C23H16O6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass388.095 g/mol
Monoisotopic Mass388.095 g/mol
Topological Polar Surface Area115 A^2
Heavy Atom Count29
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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