CAS 6640-22-8

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Also known as: Pamoic acid disodium salt, 6640-22-8, Disodium pamoate, Disodium 4,4'-methylenebis(3-hydroxy-2-naphthoate), Rpo7lte47e, Disodium methylenebis(2-hydroxy-3-naphthoate)

Molecular Formula

C₂₃H₁₄Na₂O₆

Molecular Weight

432.3 g/mol

InChI Key

YGLLICRFEVEWOZ-UHFFFAOYSA-L

FDA UNII

RPO7LTE47E

1 2D Structure

CAS 6640-22-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate

2.1.2 InChI

InChI=1S/C23H16O6.2Na/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);;/q;2*+1/p-2

2.1.3 InChI Key

YGLLICRFEVEWOZ-UHFFFAOYSA-L

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.[Na+].[Na+]

2.2 Other Identifiers

2.2.1 UNII

RPO7LTE47E

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

4. Pamoic Acid, Dicesium Salt

5. Pamoic Acid, Dilithium Salt

6. Pamoic Acid, Dipotassium Salt

7. Pamoic Acid, Dirubidium Salt

8. Pamoic Acid, Disodium Salt

2.3.2 Depositor-Supplied Synonyms

1. Pamoic Acid Disodium Salt

2. 6640-22-8

3. Disodium Pamoate

4. Disodium 4,4'-methylenebis(3-hydroxy-2-naphthoate)

5. Rpo7lte47e

6. Disodium Methylenebis(2-hydroxy-3-naphthoate)

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

8. Sodium 4,4'-methylenebis(3-hydroxy-2-naphthoate)

9. 4,4'-methylenebis(3-hydroxy-2-naphthoic Acid) Disodium Salt

10. Pamoic Acid Disodium

11. 2-naphthalenecarboxylic Acid, 4,4'-methylenebis(3-hydroxy-, Sodium Salt (1:2)

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

13. Nsc-49174

14. Unii-rpo7lte47e

15. Disodium Embonate

16. Einecs 229-653-1

17. Nsc 49174

18. Sodium Embonate

19. Pamoic Acid, Disodium Salt

20. Embonic Acid Disodium Salt

21. Ec 229-653-1

22. Schembl248780

23. Chembl4784835

24. Dtxsid8064438

25. Einecs 231-666-2

26. Pamoic Acid Disodium Salt Monohydrate

27. Akos024458081

28. Disodium 4-[(3-carboxylato-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate

29. S12039

30. As-67952

31. Bp-11182

32. B7638

33. Ft-0636222

34. P1059

35. W-104755

36. Q27288233

37. 4,4-methylenebis(3-hydroxy-2-naphthoicacid)disodiumsalt

38. 4,4'-methylenebis(3-hydroxy-2-naphthoic Acid Sodium Salt)

39. 2-naphthoic Acid, 4,4'-methylenebis(3-hydroxy-, Disodium Salt

40. 4,4'-methylenebis(3-hydroxy-2-naphthoic) Acid, Sodium Salt

41. 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylic Acid) Disodium Salt

42. 7681-47-2

2.4 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₁₄Na₂O₆
Molecular Weight	432.3 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	432.05857673 g/mol
Monoisotopic Mass	432.05857673 g/mol
Topological Polar Surface Area	121 Å²
Heavy Atom Count	31
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	3