U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O4S
Molecular Weight 174.174
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOLSULFONIC ACID

SMILES

OC1=CC=C(C=C1)S(O)(=O)=O

InChI

InChIKey=FEPBITJSIHRMRT-UHFFFAOYSA-N
InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)

HIDE SMILES / InChI
Molecular Formula C6H6O4S
Molecular Weight 174.174
Charge 0
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 Fri Dec 15 15:31:58 GMT 2023
Edited
by admin
on Fri Dec 15 15:31:58 GMT 2023
Record UNII
L74LRO149A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENOLSULFONIC ACID
JAN  
Common Name English
P-HYDROXYBENZENESULFONIC ACID
Common Name English
NSC-227908
Code English
PHENOLSULFONIC ACID [JAN]
Common Name English
P-phenolsulfonic acid [WHO-DD]
Common Name English
P-PHENOLSULFONIC ACID [MI]
Common Name English
SULFOCARBOLIC ACID
Common Name English
PARA-PHENOLSULFONIC ACID [VANDF]
Common Name English
4-HYDROXYBENZENESULFONIC ACID
Systematic Name English
4-PHENOLSULFONIC ACID
Common Name English
P-PHENOLSULFONIC ACID [HSDB]
Common Name English
PARA-PHENOLSULFONIC ACID
VANDF  
Common Name English
P-PHENOLSULFONIC ACID
HSDB   MI   WHO-DD  
Common Name English
PHENOL-4-SULFONIC ACID
Common Name English
4-HYDROXYPHENYLSULFONIC ACID
Systematic Name English
P-PHENOLSULFONATE
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 64102
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
Code System Code Type Description
NSC
227908
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
RXCUI
1651702
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
PUBCHEM
4765
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
FDA UNII
L74LRO149A
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
DAILYMED
L74LRO149A
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-691-6
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
EVMPD
SUB35794
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID1046421
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
CAS
98-67-9
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
HSDB
5319
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
CHEBI
32354
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
MESH
C051833
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
MERCK INDEX
m8629
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY Merck Index
SMS_ID
100000128562
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
DRUG BANK
DB14739
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY
RXCUI
1651701
Created by admin on Fri Dec 15 15:31:58 GMT 2023 , Edited by admin on Fri Dec 15 15:31:58 GMT 2023
PRIMARY RxNorm
Related Record Type Details
Structure of MERCURIC SODIUM P-PHENOLSULFONATE
SALT/SOLVATE -> PARENT
Structure of SODIUM P-PHENOLSULFONATE ANHYDROUS
SALT/SOLVATE -> PARENT
Structure of SODIUM P-PHENOLSULFONATE DIHYDRATE
SALT/SOLVATE -> PARENT
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966