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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4O4S.2Na
Molecular Weight 218.138
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM P-PHENOLSULFONATE

SMILES

[Na+].[Na+].[O-]C1=CC=C(C=C1)S([O-])(=O)=O

InChI

InChIKey=XDDDDXAGOCDWDL-UHFFFAOYSA-L
InChI=1S/C6H6O4S.2Na/c7-5-1-3-6(4-2-5)11(8,9)10;;/h1-4,7H,(H,8,9,10);;/q;2*+1/p-2

HIDE SMILES / InChI
Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C6H4O4S
Molecular Weight 172.159
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: http://www.ncbi.nlm.nih.gov/pubmed/3937456 and http://compoundinglab.com.au/dental-products.html

Phenolsulfonic Acid has a variety of applications, such as metal working and processing, it is used as polymerization catalyst, chemical intermediate, textile dye manufacturing, as well as oilfield chemicals. It is used in endodontic therapy for disinfection.

Originator

Approval Year

1996
225
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Approved
8429
Negatol

Approved Use

Aphthous ulcers
PubMed

PubMed

TitleDatePubMed
Juvenilizing activity of compounds related to the juvenile hormone against pupae of the stable fly.
1972 Dec
Assessment of genotoxicity of dental antiseptics: ability of phenol, guaiacol, p-phenolsulfonic acid, sodium hypochlorite, p-chlorophenol, m-cresol or formaldehyde to induce unscheduled DNA synthesis in cultured Syrian hamster embryo cells.
2000 Jul
Cell-transforming activity of fourteen chemical agents used in dental practice in Syrian hamster embryo cells.
2003 Dec
Patents

Patents

20070042398
5
8227621
5
US2016066570
5
US2016068709
5
US2448029
5
US2449081
5
WO2007002194A2
5
WO2007005222A2
5

Sample Use Guides

In Vivo Use Guide
Curator's Comment: Polyphenol Sulfonic Acid Complex is Topical Solution.
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:34:33 GMT 2023
Edited
by admin
on Sat Dec 16 18:34:33 GMT 2023
Record UNII
R0CI3N9J8B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISODIUM P-PHENOLSULFONATE
Common Name English
P-HYDROXYBENZENESULFONIC ACID DISODIUM SALT
Common Name English
P-PHENOLSULFONIC ACID SODIUM SALT (1:2)
Common Name English
DISODIUM P-HYDROXYBENZENESULFONATE
Common Name English
BENZENESULFONIC ACID, 4-HYDROXY-, DISODIUM SALT
Systematic Name English
BENZENESULFONIC ACID, P-HYDROXY-, DISODIUM SALT
Systematic Name English
BENZENESULFONIC ACID, 4-HYDROXY-, SODIUM SALT (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
13319063
Created by admin on Sat Dec 16 18:34:33 GMT 2023 , Edited by admin on Sat Dec 16 18:34:33 GMT 2023
PRIMARY
CAS
20896-31-5
Created by admin on Sat Dec 16 18:34:33 GMT 2023 , Edited by admin on Sat Dec 16 18:34:33 GMT 2023
PRIMARY
FDA UNII
R0CI3N9J8B
Created by admin on Sat Dec 16 18:34:33 GMT 2023 , Edited by admin on Sat Dec 16 18:34:33 GMT 2023
PRIMARY
NIH
NCATS
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