PHENYLMERCURIC AMMONIUM ACETATE

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

Molecular Formula	C6H5Hg
Molecular Weight	277.69
Charge	1
Count	MOL RATIO 1 MOL RATIO (average)

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

Molecular Formula	H3N
Molecular Weight	17.0305
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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	MOL RATIO 1 MOL RATIO (average)

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

Description

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	Inhibitor 8,504
Aspergillus sp. 2	Inhibitor 8,504
platelet aggregation 80	Inhibitor 8,504
Neisseria gonorrhoeae 5	Inhibitor 8,504

Conditions

Condition	Modality	Highest Phase	Product
Unknown 2,596
Ocular fungal infections 2	Curative	Basic research	Unknown
Gonorrhea 30	Curative	Phase I 438	Unknown
Pregnancy 65	Preventing	Approved 8,583	Volpar gel

Doses

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Dose	Population	Adverse events
0.01 % 1 times / day multiple, topical	healthy, 54 years	Disc. AE: Contact urticaria...

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AEs

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AE	Significance	Dose	Population
Contact urticaria	Disc. AE	0.01 % 1 times / day multiple, topical	healthy, 54 years

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Overview

CYP3A4	CYP2C9	CYP2D6	hERG
activator 150	activator 23	activator 25

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer

Drug as perpetrator

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Target	Modality	Activity
CYP2C19 2,141	activator 342	yes [Activation 1 uM]
CYP3A4 2,633	activator 342	yes [Activation 1.8 uM]
CYP1A1 272	activator 342	yes [Activation 22 uM]
CYP1A2 2,333	activator 342	yes [Activation 3.2 uM]
CYP2D6 2,546	activator 342	yes [Activation 4.5 uM]

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Sourcing

Sourcing

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Vendor/Aggregator	ID	URL
3B Scientific (Wuhan) Corp	3B3-034131	http://www.3bsc.com/index/pro_info.php?id=56000
abcr GmbH	AB121008	http://www.abcr.de/shop/en/AB121008
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

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PubMed

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Title	Date	PubMed
Bacterial organomercurial lyase: overproduction, isolation, and characterization.	1986 Nov 4	3542021
[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 role of mycelium production and a MAPK-mediated immune response in the C. elegans-Fusarium model system.	2012 Jul	22225407

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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
Record UNII	272963SQX8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MERCURATE(1-), (ACETATO-.KAPPA.O)AMIDOPHENYL-, HYDROGEN

Preferred Name

English

PHENYLMERCURIC AMMONIUM ACETATE

Common Name

English

MERCURATE(1-), (ACETATO-O)AMIDOPHENYL-, HYDROGEN

Systematic Name

English

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Code System

Code

Type

Description

EPA CompTox

DTXSID2058259

PRIMARY

CAS

53404-67-4

PRIMARY

FDA UNII

272963SQX8

PRIMARY

PUBCHEM

16683079

PRIMARY

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SMILES

InChI

CNS Activity

Originator

Approval Year

Targets

Conditions

Doses

AEs

Overview

OverviewOther

Drug as perpetrator​

Sourcing

PubMed

Patents

Sample Use Guides

Drug as perpetrator