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Details

Stereochemistry ACHIRAL
Molecular Formula C16H11NO3
Molecular Weight 265.2634
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXYQUINOLINE SALICYLATE ESTER

SMILES

OC1=CC=CC=C1C(=O)OC2=C3N=CC=CC3=CC=C2

InChI

InChIKey=CLIMZDIZFXRPCR-UHFFFAOYSA-N
InChI=1S/C16H11NO3/c18-13-8-2-1-7-12(13)16(19)20-14-9-3-5-11-6-4-10-17-15(11)14/h1-10,18H

HIDE SMILES / InChI

Molecular Formula C16H11NO3
Molecular Weight 265.2634
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
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 Sat Dec 16 05:55:15 GMT 2023
Edited
by admin
on Sat Dec 16 05:55:15 GMT 2023
Record UNII
7BQJ20V9HE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXYQUINOLINE SALICYLATE ESTER
Common Name English
AGUTTAN
Common Name English
SALICYLIC ACID ESTER OF OXYCHINOLIN
Common Name English
Code System Code Type Description
PUBCHEM
114128
Created by admin on Sat Dec 16 05:55:15 GMT 2023 , Edited by admin on Sat Dec 16 05:55:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID60962372
Created by admin on Sat Dec 16 05:55:15 GMT 2023 , Edited by admin on Sat Dec 16 05:55:15 GMT 2023
PRIMARY
FDA UNII
7BQJ20V9HE
Created by admin on Sat Dec 16 05:55:15 GMT 2023 , Edited by admin on Sat Dec 16 05:55:15 GMT 2023
PRIMARY
CAS
42206-69-9
Created by admin on Sat Dec 16 05:55:15 GMT 2023 , Edited by admin on Sat Dec 16 05:55:15 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY