Mercurochrome

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Mercurochrome
Accession Number
DB13392
Type
Small Molecule
Groups
Experimental
Description

Mercurochrome is a trade name of merbromin. It is an organomercuric disodium salt compound and a fluorescein that is available in many countries, except Switzerland, France, Germany, and the United States where the drug was withdrawn from market due to the possibility of mercury poisoning. It is commonly used as a topical first-aid antiseptic agent.

Structure
Thumb
Synonyms
  • Merbromin
  • merbromina
Categories
UNII
M0T18YH28D
CAS number
129-16-8
Weight
Average: 750.65
Monoisotopic: 749.818928236
Chemical Formula
C20H8Br2HgNa2O6
InChI Key
SQFDQLBYJKFDDO-UHFFFAOYSA-K
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;3*+1;/p-3
IUPAC Name
[2,7-dibromo-3-oxo-6-(sodiooxy)-9-{2-[(sodiooxy)carbonyl]phenyl}-3H-xanthen-5-yl]mercurol
SMILES
O[Hg]C1=C2OC3=CC(=O)C(Br)=CC3=C(C2=CC(Br)=C1O[Na])C1=CC=CC=C1C(=O)O[Na]

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
2724062
PubChem Substance
347829297
ChemSpider
8029248
ChEBI
6763
Wikipedia
Merbromin
ATC Codes
D08AK04 — Mercurochrome

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0844 mg/mLALOGPS
logP3.77ALOGPS
logP4.3ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)15.6ChemAxon
pKa (Strongest Basic)2.47ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area82.06 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity118.48 m3·mol-1ChemAxon
Polarizability46.74 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzopyrans
Sub Class
1-benzopyrans
Direct Parent
Xanthenes
Alternative Parents
Benzoic acids and derivatives / Benzoyl derivatives / Metal aryls / Aryl bromides / Heteroaromatic compounds / Cyclic ketones / Carboxylic acid salts / Oxacyclic compounds / Organic transition metal salts / Organic alkali metal salts
show 5 more
Substituents
Xanthene / Benzoic acid or derivatives / Benzoyl / Aryl bromide / Metal aryl / Aryl halide / Monocyclic benzene moiety / Benzenoid / Heteroaromatic compound / Carboxylic acid salt
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:41 / Updated on November 02, 2018 07:39