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Technical details about Merbromin, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 129-16-8, Merbromina, Mercury dibromofluorescein disodium salt, Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;hydrate, Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;tetrahydrate, Mfcd00013081
Molecular Formula
C20H9Br2HgNa2O6
Molecular Weight
751.7  g/mol
InChI Key
KQSRXDXJGUJRKE-UHFFFAOYSA-L

A once-popular mercury containing topical antiseptic.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;hydrate
2.1.2 InChI
InChI=1S/C20H9Br2O5.Hg.2Na.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;;;/h1-7,24H,(H,25,26);;;;1H2/q;;2*+1;/p-2
2.1.3 InChI Key
KQSRXDXJGUJRKE-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)Br)[O-])[Hg])Br)C(=O)[O-].O.[Na+].[Na+]
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 2,7 Dibromo 4 Hydroxymercurifluoresceine

2. 2,7-dibromo-4-hydroxymercurifluoresceine

3. Merbromine

4. Mercurochrome

5. Mercury, (2',7'-dibromo-3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3h),9'-(9h)xanthen)-4'-yl)hydroxy-, Disodium Salt

2.2.2 Depositor-Supplied Synonyms

1. 129-16-8

2. Merbromina

3. Mercury Dibromofluorescein Disodium Salt

4. Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;hydrate

5. Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;tetrahydrate

6. Mfcd00013081

7. Cinfacromin

8. Merbromino

9. Mercuriocromo

10. Supercrome

11. Sodium Merbromin

12. Sodium Mercurescein

13. Mercurochrome (tn)

14. Merbromin N.f Xii

15. Schembl25312

16. Spectrum1500637

17. Chebi:6763

18. Hms501e17

19. Dtxsid701015061

20. Hms1921m15

21. Hms2092e12

22. Bcp24664

23. Ccg-39726

24. Akos015903744

25. Db13392

26. Ncgc00094822-01

27. Ncgc00094822-02

28. D00861

29. Mercury Dibromofluorescein Disodium Salt, Practical Grade, Crystalline

30. 15015-80-2

31. Disodium [2,7-dibromo-9-(2-carboxylatophenyl)-6-oxido-3-oxo-3h-xanthen-5-yl](hydroxy)mercury

32. Sodium (2,7-dibromo-9-(2-carboxylatophenyl)-6-oxido-3-oxo-3h-xanthen-5-yl)(hydroxy)mercury

2.3 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 751.7 g/mol
Molecular Formula C20H9Br2HgNa2O6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass752.82472 g/mol
Monoisotopic Mass750.82677 g/mol
Topological Polar Surface Area90.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4
4 Pharmacology and Biochemistry
4.1 ATC Code

D - Dermatologicals

D08 - Antiseptics and disinfectants

D08A - Antiseptics and disinfectants

D08AK - Mercurial products

D08AK04 - Merbromin


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