Products for Research Use Only

Merbromin

CAT: 0013-GTR19163917-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163917-01Size:500 mg
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Description
Merbromin is a topical antiseptic used for minor cuts and scrapes. Merbromin is an organomercuric disodium salt compound and a fluorescein.
CAS Number
129-16-8
Purity
>98% (HPLC)
Solubility
DMSO: 10 mM
Smiles
O.[Na+].OC (=O) C1=CC=CC=C1C1=C2C=C (Br) C (=O) C=C2OC2=C ([Hg]) C (O) =C (Br) C=C12
Molecular Formula
C20H8Br2HgNa2O6
Molecular Weight
750.65
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Mercurochrome
CAS Number129-16-8
PubChem CID102248350
Molecular FormulaC20H8Br2HgNa2O6
Molecular Weight750.7
Topological Polar Surface Area82.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity785
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=C=C([C](C=C35)Br)[O-])[O-])Br.[OH-].[Na+].[Na+].[Hg+]
InChI
InChI=1S/C20H9Br2O5.Hg.2Na.H2O/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20;;;;/h1-7,23-24H;;;;1H2/q;3*+1;/p-3
InChIKey
JXQGSRKVFQSVTR-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Mercurochrome
CAS: 129-16-8
CID: 102248350
Formula: C20H8Br2HgNa2O6
MW: 750.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight750.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass751.81690
Monoisotopic Mass749.81895
Topological Polar Surface Area82.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity785
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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