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Details

Stereochemistry ACHIRAL
Molecular Formula C6H5Hg.C2H3O2.H3N
Molecular Weight 353.77
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLMERCURIC AMMONIUM ACETATE

SMILES

N.CC([O-])=O.[Hg+]C1=CC=CC=C1

InChI

InChIKey=LPDJEBDOSVRHKE-UHFFFAOYSA-M
InChI=1S/C6H5.C2H4O2.Hg.H3N/c1-2-4-6-5-3-1;1-2(3)4;;/h1-5H;1H3,(H,3,4);;1H3/q;;+1;/p-1

HIDE SMILES / InChI
TargetsConditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Unknown

Approved Use

Unknown
Curative
Unknown

Approved Use

Unknown
Preventing
Volpar gel

Approved Use

Spermicide

Launch Date

1936
Doses

Doses

DosePopulationAdverse events​
0.01 % 1 times / day multiple, topical
Dose: 0.01 %, 1 times / day
Route: topical
Route: multiple
Dose: 0.01 %, 1 times / day
Sources:
healthy, 54 years
n = 1
Health Status: healthy
Age Group: 54 years
Sex: F
Population Size: 1
Sources:
Disc. AE: Contact urticaria...
AEs leading to
discontinuation/dose reduction:
Contact urticaria
Sources:
AEs

AEs

AESignificanceDosePopulation
Contact urticaria Disc. AE
0.01 % 1 times / day multiple, topical
Dose: 0.01 %, 1 times / day
Route: topical
Route: multiple
Dose: 0.01 %, 1 times / day
Sources:
healthy, 54 years
n = 1
Health Status: healthy
Age Group: 54 years
Sex: F
Population Size: 1
Sources:
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG



OverviewOther

Other InhibitorOther SubstrateOther Inducer
Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
yes [Activation 1 uM]
yes [Activation 1.8 uM]
yes [Activation 22 uM]
yes [Activation 3.2 uM]
yes [Activation 4.5 uM]
yes [Activation 8.9 uM]
PubMed

PubMed

TitleDatePubMed
Bacterial organomercurial lyase: overproduction, isolation, and characterization.
1986 Nov 4
[Contact eczema caused by pesticides in East Germany].
1989
[Contact sensitization to pharmaceutic aids in dermatologic cosmetic and external use preparations].
2004 May
Characterization and inhibition of SARS-coronavirus main protease.
2006
Mercury (Hg) and lead (Pb) in interior and exterior New Orleans house paint films.
2008 Jun
The antifungal properties of chlorhexidine digluconate and cetylpyrinidinium chloride on oral Candida.
2012 Jul
The role of mycelium production and a MAPK-mediated immune response in the C. elegans-Fusarium model system.
2012 Jul
Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study.
2015 May
A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors.
2015 Sep
Patents

Sample Use Guides

Contraceptive suppositories or gel
Route of Administration: Vaginal
MIC₉₀s of phenylmercuric acetate were 0.0156, 0.0156, 0.0156 and 0.0156 mg/L for Fusarium spp., Aspergillus spp., A. alternata and other pathogens, respectively.
Name Type Language
PHENYLMERCURIC AMMONIUM ACETATE
Common Name English
MERCURATE(1-), (ACETATO-O)AMIDOPHENYL-, HYDROGEN
Systematic Name English
MERCURATE(1-), (ACETATO-.KAPPA.O)AMIDOPHENYL-, HYDROGEN
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2058259
Created by admin on Sat Dec 16 09:48:19 GMT 2023 , Edited by admin on Sat Dec 16 09:48:19 GMT 2023
PRIMARY
CAS
53404-67-4
Created by admin on Sat Dec 16 09:48:19 GMT 2023 , Edited by admin on Sat Dec 16 09:48:19 GMT 2023
PRIMARY
FDA UNII
272963SQX8
Created by admin on Sat Dec 16 09:48:19 GMT 2023 , Edited by admin on Sat Dec 16 09:48:19 GMT 2023
PRIMARY
PUBCHEM
16683079
Created by admin on Sat Dec 16 09:48:19 GMT 2023 , Edited by admin on Sat Dec 16 09:48:19 GMT 2023
PRIMARY