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Details

Stereochemistry ACHIRAL
Molecular Formula 2C9H7NO.H2O4S
Molecular Weight 388.394
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXYQUINOLINE SULFATE

SMILES

OS(O)(=O)=O.OC1=C2N=CC=CC2=CC=C1.OC3=C4N=CC=CC4=CC=C3

InChI

InChIKey=YYVFXSYQSOZCOQ-UHFFFAOYSA-N
InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H7NO
Molecular Weight 145.158
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including: http://www.cosmeticsinfo.org/ingredient/benzoxiquine-0

In cosmetics and personal care products, Benzoxiquine has been reported to be used in the formulation of hair tonics, dressings, and other hair grooming aids. Benzoxiquine is described as a biocide for use in cosmetic products. It is currently reported to be used in only one product. In a separate finding, the Food and Drug Administration determined that Benzoxiquine is not generally recognized as safe and effective in over-the-counter topical antifungal drug products. The only data available on the toxicity of Benzoxiquine indicates that it is mutagenic in the Ames test without metabolic activation. Because of the lack of data, the safety of Benzoxiquine could not be substantiated. The data needed to make a safety assessment include purity/impurities, ultraviolet absorption (if there is absorption, then photosensitization data will be needed), 28-day dermal toxicity, dermal teratogenicity, ocular irritation (if already available only), dermal irritation and sensitization, and two different genotoxicity studies (one using a mammalian system). If the latter data are positive, dermal carcinogenesis data using the methods of the National Toxicology Program will be needed. It cannot be concluded that Benzoxiquine is safe for use in cosmetic products until these safety data have been obtained and evaluated.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
In vitro studies of the antibacterial and antifungal activity of oxine and its derivatives.
1994 Aug
Fragment-based discovery of 8-hydroxyquinoline inhibitors of the HIV-1 integrase-lens epithelium-derived growth factor/p75 (IN-LEDGF/p75) interaction.
2013 Mar 28
Patents

Patents

Sample Use Guides

Unknown
Route of Administration: Topical
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:17:18 GMT 2023
Edited
by admin
on Fri Dec 15 15:17:18 GMT 2023
Record UNII
61VUG75Y3P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXYQUINOLINE SULFATE
INCI   USAN   USP-RS   VANDF  
INCI   USAN  
Official Name English
HYDROXYQUINOLINE SULFATE
MART.   VANDF   WHO-DD  
Systematic Name English
Hydroxyquinoline sulfate [WHO-DD]
Common Name English
8-QUINOLINOL SULPHATE (2:1) (SALT)
Common Name English
8-HYDROXYQUINOLINE SULFATE
MI  
Systematic Name English
BIS(8-HYDROXYQUINOLINIUM) SULFATE
Systematic Name English
HYDROXYQUINOLINE SULFATE [VANDF]
Common Name English
OXYQUINOLINE SULFATE [INCI]
Common Name English
HYDROXYQUINOLINE SULFATE [MART.]
Common Name English
8-HYDROXYQUINOLINE SULFATE [MI]
Common Name English
OXYQUINOLINE SULFATE [VANDF]
Common Name English
OXYQUINOLINE SULFATE [USAN]
Common Name English
8-HYDROXYQUINOLINE SULPHATE
Systematic Name English
OXYQUINOLINE SULPHATE
Common Name English
8-Quinolinol sulfate (2:1) (salt)
Common Name English
OXYQUINOLINE SULFATE [USP-RS]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 59804
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
Code System Code Type Description
MERCK INDEX
m6151
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY Merck Index
DRUG BANK
DBSALT002678
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
ALANWOOD
8-hydroxyquinoline sulfate
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
FDA UNII
61VUG75Y3P
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
ChEMBL
CHEMBL310555
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
DAILYMED
61VUG75Y3P
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
SMS_ID
100000088419
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
NCI_THESAURUS
C80848
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
PUBCHEM
8639
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
CAS
134-31-6
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
205-137-1
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
RXCUI
42836
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY RxNorm
EVMPD
SUB14151MIG
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID6025436
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
RS_ITEM_NUM
1490103
Created by admin on Fri Dec 15 15:17:18 GMT 2023 , Edited by admin on Fri Dec 15 15:17:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY