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1 Drugs in Development

1 Drugs in Development

Synopsis

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Chemistry

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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

Rose Bengal Disodium

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 Formula	C₂₀H₂Cl₄I₄Na₂O₅
Molecular Weight	1017.6 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	89.5
Heavy Atom Count	35
Formal Charge	0
Complexity	936
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

4 Pharmacology and Biochemistry

4.1 ATC Code

S - Sensory organs

S01 - Ophthalmologicals

S01J - Diagnostic agents

S01JA - Colouring agents

S01JA02 - Rose bengal sodium

Drugs in Development

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Rose Bengal Disodium

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