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2D Structure
Also known as: Acid red 94, Bengal rose b sodium salt, Rose bengal extra, Rose bengal disodium, Japan red 105-1, Red no. 105-1
Molecular Formula
C20H2Cl4I4Na2O5
Molecular Weight
1017.6  g/mol
InChI Key
UWBXIFCTIZXXLS-UHFFFAOYSA-L
FDA UNII
956575SN5L

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
disodium;2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate
2.1.2 InChI
InChI=1S/C20H4Cl4I4O5.2Na/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28;;/h1-2,29H,(H,31,32);;/q;2*+1/p-2
2.1.3 InChI Key
UWBXIFCTIZXXLS-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1I)[O-])I)I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].[Na+].[Na+]
2.2 Other Identifiers
2.2.1 UNII
956575SN5L
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Acid Red 94

2. Bengal Rose B Sodium Salt

3. Rose Bengal Extra

4. Rose Bengal Disodium

5. Japan Red 105-1

6. Red No. 105-1

7. Pv-10 Sodium

8. Aka105(1)

9. 11121-48-5

10. 632-69-9 (sodium)

11. Dtxcid702814

12. Dtxsid4022814

13. 956575sn5l

14. Sodium Tetraiodotetrachlorofluorescein

15. Rose Bengal, 90%, Indicator

16. Rose Bengal Sodium (mart.)

17. Rose Bengal Sodium [mart.]

18. 2',4',5',7'-tetraiodo-3,4,5,6-tetrachlorofluorescein Disodium Salt

19. 3',4',5',6'-tetrachloro-2,4,5,7-tetraiodofluorescein Disodium Salt

20. Disodium 3,4,5,6-tetrachloro-2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanthen-9-yl)benzoate

21. Disodium Salt Of 4,5,6,7-tetrachloro-2',4',5',7'-tetraiodofluorescein

22. Spiro(isobenzofuran-1(3h), 9'-(9h)xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, Disodium Salt

23. Ci Acid Red 94

24. Ncgc00159508-02

25. Chembl2359093

26. Rose Bengal Sodium [inn]

27. Rose Bengal, Dye Content 95 %

28. Aka105(1) [inci]

29. Uwbxifctizxxls-uhfffaoysa-l

30. Rose Bengal Sodium [who-dd]

31. Tox21_111727

32. 4,5,6,7-tetrachloro-2',4',5',7'-tetraiodofluorescein Sodium Salt

33. Bdbm50498947

34. Akos015902615

35. Akos024319604

36. Rose Bengal Disodium Salt [mi]

37. Cas-632-69-9

38. Sy076590

39. Tetrachlorotetraiodofluorescein Disodium Salt

40. Cs-0440614

41. F0001

42. R0041

43. C20347

44. Rose Bengal Sodium Salt, Dye Content >=85 %

45. A934800

46. 4,5,6,7-tetrachloro-2',4',5',7'-tetraiodofluorescein Disodium

47. Rose Bengal Sodium Salt, Certified By The Biological Stain Commission

48. Disodium 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3h-xanthen-9-yl)benzoate

49. Rose Bengal, Certified By The Biological Stain Commission, Dye Content >=80 %

50. Sodium 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3h-xanthen-9-yl)benzoate

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 1017.6 g/mol
Molecular Formula C20H2Cl4I4Na2O5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area89.5
Heavy Atom Count35
Formal Charge0
Complexity936
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Pharmacology and Biochemistry
4.1 ATC Code

S - Sensory organs

S01 - Ophthalmologicals

S01J - Diagnostic agents

S01JA - Colouring agents

S01JA02 - Rose bengal sodium