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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

Description

Phenylmercuric ammonium acetate is a fungicide and bactericide. It is used for the seed treatment.

CNS Activity

Originator

Approval Year

1921
1467
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8297
Inhibitor
8297
Inhibitor
8297
Inhibitor
8297
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Basic research
Unknown

Approved Use

Unknown
Curative
Phase I
428
Unknown

Approved Use

Unknown
Preventing
Approved
8429
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:
https://pubmed.ncbi.nlm.nih.gov/8112079
healthy, 54 years
n = 1
Health Status: healthy
Age Group: 54 years
Sex: F
Population Size: 1
Sources:
https://pubmed.ncbi.nlm.nih.gov/8112079
Disc. AE: Contact urticaria...
AEs leading to
discontinuation/dose reduction:
Contact urticaria
Sources:
https://pubmed.ncbi.nlm.nih.gov/8112079
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:
https://pubmed.ncbi.nlm.nih.gov/8112079
healthy, 54 years
n = 1
Health Status: healthy
Age Group: 54 years
Sex: F
Population Size: 1
Sources:
https://pubmed.ncbi.nlm.nih.gov/8112079
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG
activator
80
activator
22
activator
23

OverviewOther

Other InhibitorOther SubstrateOther Inducer
Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
CYP2C19
1553
 yes [Activation 1 uM]
CYP3A4
1925
 yes [Activation 1.8 uM]
CYP1A1
218
 yes [Activation 22 uM]
CYP1A2
1692
 yes [Activation 3.2 uM]
CYP2D6
1891
 yes [Activation 4.5 uM]
CYP2C9
1819
 yes [Activation 8.9 uM]
Sourcing

Sourcing

Vendor/AggregatorIDURL
3B Scientific (Wuhan) Corp
3B3-034131
http://www.3bsc.com/index/pro_info.php?id=56000
AK Scientific, Inc. (AKSCI)
8055AF
http://www.aksci.com/item_detail.php?cat=8055AF
Alfa Aesar
37125
https://www.alfa.com/en/catalog/037125/
Alfa Chemistry
ACM62384
https://materials.alfachemic.com/product/phenylmercuric-acetate-cas-62-38-4-329208.html
ChemExper Chemical Directory
HmtD`HX@kIDhhdYVhF@@@@
ChemMol
99117839
http://www.chemmol.com/chemmol/99117839.html
Chemieliva Pharmaceutical Co., Ltd
PBCM0699947
NovoSeek
16682730
PubChem
16682730
https://pubchem.ncbi.nlm.nih.gov/compound/16682730
Sigma-Aldrich
P27127_ALDRICH
https://www.sigmaaldrich.com/catalog/product/aldrich/p27127?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich
79120_SIAL
https://www.sigmaaldrich.com/catalog/product/sial/79120?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
VladaChem
VL164284
https://www.vladachem.com/product.php?products=62-38-4
abcr GmbH
AB121008
http://www.abcr.de/shop/en/AB121008
iChemical
EBD578391
http://www.ichemical.com/products/62-38-4.html?utm_source=PubChem&utm_medium=website&utm_campaign=product%20catalogs
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

Patents

20060008862
10
7488721
2
US3068142
2

Sample Use Guides

In Vivo Use Guide
Contraceptive suppositories or gel
Route of Administration: Vaginal
In Vitro Use Guide
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
NIH
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