PHENYLMERCURIC AMMONIUM ACETATE

US Previously Marketed

First marketed in 1921

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

Structure Search

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

Molecular Formula	H3N
Molecular Weight	17.0305
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C6H5Hg
Molecular Weight	277.69
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C2H3O2
Molecular Weight	59.044
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22514262 | https://www.ncbi.nlm.nih.gov/pubmed/6277015 | https://www.ncbi.nlm.nih.gov/pubmed/21260329DOI: 10.1007/BF02861085 | DOI: 10.1080/09670877409413645 | Environmental Administrative Decisions: Decisions of the United States Environmental Protection Agency. 1972-1985, page 223, retrieved from: https://books.google.ru/books?id=QiB5OUaJIv4C

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

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Fusarium sp. 2 Target ID: CHEMBL612756 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22514262	Inhibitor 8297
Aspergillus sp. 2 Target ID: CHEMBL612633 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22514262	Inhibitor 8297
platelet aggregation 76 Target ID: GO:0070527 Sources: https://www.ncbi.nlm.nih.gov/pubmed/6889185	Inhibitor 8297
Neisseria gonorrhoeae 5 Target ID: CHEMBL614430 Sources: https://www.ncbi.nlm.nih.gov/pubmed/6277015	Inhibitor 8297

Conditions

Condition	Modality	Highest Phase	Product
Unknown 2578
Ocular fungal infections 2 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22514262	Curative	Basic research	Unknown Approved Use Unknown
Gonorrhea 30 Sources: https://www.ncbi.nlm.nih.gov/pubmed/6277015	Curative	Phase I 428	Unknown Approved Use Unknown
Pregnancy 65 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20274120 https://www.ncbi.nlm.nih.gov/pubmed/21260329	Preventing	Approved 8429	Volpar gel Approved Use Spermicide Launch Date 1936

Doses

Dose	Population	Adverse 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

AE	Significance	Dose	Population
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

CYP3A4	CYP2C9	CYP2D6	hERG
activator 80	activator 22	activator 23

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer

Drug as perpetrator

Target	Modality	Activity
CYP2C19 1553	activator 214 Sources: https://pubmed.ncbi.nlm.nih.gov/23611293/	yes [Activation 1 uM]
CYP3A4 1925	activator 214 Sources: https://pubmed.ncbi.nlm.nih.gov/23611293/	yes [Activation 1.8 uM]
CYP1A1 218	activator 214 Sources: https://pubmed.ncbi.nlm.nih.gov/23611293/	yes [Activation 22 uM]
CYP1A2 1692	activator 214 Sources: https://pubmed.ncbi.nlm.nih.gov/23611293/	yes [Activation 3.2 uM]
CYP2D6 1891	activator 214 Sources: https://pubmed.ncbi.nlm.nih.gov/23611293/	yes [Activation 4.5 uM]
CYP2C9 1819	activator 214 Sources: https://pubmed.ncbi.nlm.nih.gov/23611293/	yes [Activation 8.9 uM]

Sourcing

Vendor/Aggregator	ID	URL
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

Title	Date	PubMed
Bacterial organomercurial lyase: overproduction, isolation, and characterization.	1986 Nov 4	3542021
[Contact eczema caused by pesticides in East Germany].	1989	2525102
[Contact sensitization to pharmaceutic aids in dermatologic cosmetic and external use preparations].	2004 May	15218738
Characterization and inhibition of SARS-coronavirus main protease.	2006	16611148
Mercury (Hg) and lead (Pb) in interior and exterior New Orleans house paint films.	2008 Jun	18485443
The antifungal properties of chlorhexidine digluconate and cetylpyrinidinium chloride on oral Candida.	2012 Jul	22521700
The role of mycelium production and a MAPK-mediated immune response in the C. elegans-Fusarium model system.	2012 Jul	22225407
Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study.	2015 May	25622337
A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors.	2015 Sep	26272509

Patents

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.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:48:19 GMT 2023` Edited by `admin` on `Sat Dec 16 09:48:19 GMT 2023`
Record UNII	272963SQX8
Record Status	`Validated (UNII)`
Record Version

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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

Details

SMILES

InChI

CNS Activity

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Approved Use

Launch Date

Doses

AEs

Overview

OverviewOther

Drug as perpetrator​

Sourcing

PubMed

Patents

Sample Use Guides

Drug as perpetrator