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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 6915-57-7, Bibrocathin, Bismucatebrol, Bibrokatol, Bibrocatholum, Bibrocatol

Molecular Formula

C₆H₂BiBr₄O₃

Molecular Weight

650.67 g/mol

InChI Key

UXRNCOAKURWTIQ-UHFFFAOYSA-L

Bibrocathol is a bismuth derivative of tetrabromopyrocatechol used as a topical ointment for the treatment of blepharitis.

1 2D Structure

Bibrocathol

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+2;/p-2

2.1.2 InChI Key

UXRNCOAKURWTIQ-UHFFFAOYSA-L

2.1.3 Canonical SMILES

C12=C(C(=C(C(=C1Br)Br)Br)Br)O[Bi]O2.O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Noviform

2. Posiformin

3. Tetrabromopyrocatechol Bismuth

2.2.2 Depositor-Supplied Synonyms

1. 6915-57-7

2. Bibrocathin

3. Bismucatebrol

4. Bibrokatol

5. Bibrocatholum

6. Bibrocatol

7. Posiformin

8. Keraform

9. Noviforme

10. Bibrocathol [inn:dcf]

11. Unii-0kj20h1blj

12. Bibrocatholum [inn-latin]

13. Noviform (tn)

14. Einecs 230-023-3

15. 4,5,6,7-tetrabrom-1,3,2-benzodioxabismol-2-ol

16. Schembl668876

17. Chebi:135953

18. Dtxsid701027244

19. Stl454345

20. D07414

21. 4,5,6,7-tetrabromo-1,3,2-benzodioxabismol-2-ol

2.3 Create Date

2007-08-23

3 Chemical and Physical Properties

Molecular Formula	C₆H₂BiBr₄O₃
Molecular Weight	650.67 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	650.65004 g/mol
Monoisotopic Mass	646.65414 g/mol
Topological Polar Surface Area	19.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	190
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	2