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Details

Stereochemistry ACHIRAL
Molecular Formula C16H11NO2
Molecular Weight 249.264
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOXIQUINE

SMILES

O=C(OC1=CC=CC2=CC=CN=C12)C3=CC=CC=C3

InChI

InChIKey=BHKPHCKISVSDGV-UHFFFAOYSA-N
InChI=1S/C16H11NO2/c18-16(13-6-2-1-3-7-13)19-14-10-4-8-12-9-5-11-17-15(12)14/h1-11H

HIDE SMILES / InChI

Molecular Formula C16H11NO2
Molecular Weight 249.264
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
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 15:03:50 GMT 2023
Edited
by admin
on Fri Dec 15 15:03:50 GMT 2023
Record UNII
GRE0P19C3Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOXIQUINE
INCI   INN   MART.   MI   USAN   VANDF   WHO-DD  
INN   USAN   INCI  
Official Name English
BENZOXIQUINE [VANDF]
Common Name English
BENZOXIQUINE [USAN]
Common Name English
BENZOXIQUINE [MI]
Common Name English
Benzoxiquine [WHO-DD]
Common Name English
benzoxiquine [INN]
Common Name English
NSC-3951
Code English
BENZOXIQUINE [MART.]
Common Name English
BENZOXIQUINE [INCI]
Common Name English
8-HYDROXYQUINOLINE BENZOATE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
Code System Code Type Description
FDA UNII
GRE0P19C3Z
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY
RXCUI
314521
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY RxNorm
EPA CompTox
DTXSID5046069
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY
EVMPD
SUB05763MIG
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY
INN
2438
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY
MERCK INDEX
m72
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY Merck Index
SMS_ID
100000086371
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY
ChEMBL
CHEMBL1170610
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY
PUBCHEM
6855
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY
NCI_THESAURUS
C77027
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY
NSC
3951
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-697-6
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY
CAS
86-75-9
Created by admin on Fri Dec 15 15:03:50 GMT 2023 , Edited by admin on Fri Dec 15 15:03:50 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY