3,4-DIMETHYLPHENYLGLYOXYLIC ACID

US Previously Marketed

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H10O3
Molecular Weight	178.1846
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-DIMETHYLPHENYLGLYOXYLIC ACID

Structure Search

SMILES

CC1=CC=C(C=C1C)C(=O)C(O)=O

InChI

InChIKey=ISPFBCQRXZHOGR-UHFFFAOYSA-N

InChI=1S/C10H10O3/c1-6-3-4-8(5-7(6)2)9(11)10(12)13/h3-5H,1-2H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C10H10O3
Molecular Weight	178.1846
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://books.google.ru/books?id=1I3LBQAAQBAJ&pg=PA124&lpg=PA124&dq=SODIUM+3,4-DIMETHYLPHENYLGLYOXYLATE retrieved from Handbook of Pharmaceutical Manufacturing Formulations: Over-the-Counter Products By Sarfaraz K. Niazi, p.124 | http://www.google.nl/patents/US4822600

Sodium 3,4-dimethylphenylglyoxylate is a topical analgesic, sunscreen ingredient, UV-B absorber, FDA approved.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Sunburn 84 Sources: http://www.patentsencyclopedia.com/app/20100047185 http://documentslide.com/download/link/sunscreens-and-photocarcinogenesis-an-objective-assessment	Preventing		Approved 8583	Unknown Approved Use Unknown
Unknown 2596

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 2252	inhibitor 2438	inhibitor 2507	inhibitor 2217

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP1A2 2153 CYP2C19 2057

Drug as perpetrator

Target	Modality	Activity
CYP2D6 2546	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/23664290#section=BioAssay-Results Page: 3.0	inconclusive [IC50 15.4871 uM]
CYP2C19 2141	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/23664290#section=BioAssay-Results Page: 59.0	no
CYP2C9 2497	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/23664290#section=BioAssay-Results Page: 54.0	no
CYP3A4 2633	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/23664290#section=BioAssay-Results Page: 3.0	yes [IC50 10.964 uM]
CYP1A2 2333	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/23664290#section=BioAssay-Results Page: 4.0	yes [IC50 30.9008 uM]

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 2263	inhibitor 2237 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/23664290#section=BioAssay-Results Page: 58.0

Sourcing

Vendor/Aggregator	ID	URL
Ambinter	Amb17233390	http://www.ambinter.com/reference/17233390
Aurora Fine Chemicals LLC	A02.247.700	http://online.aurorafinechemicals.com/info?ID=A02.247.700
Chemieliva Pharmaceutical Co., Ltd	PBCM0529884
Chemspace	CSC012186530
eMolecules	46105959
Enamine	BBV-39777798
Enamine	EN300-1852512
Fluorochem	396906
Oakwood	396906	http://www.oakwoodchemical.com/ProductsList.aspx?CategoryID=-2&txtSearch=156962&ExtHyperLink=1
Rieke Metals	NV04032	http://riekemetals.com/products-services/catnum/NV04032
ZINC	ZINC000038386902	http://zinc15.docking.org/substances/ZINC000038386902

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:32:29 GMT 2025` Edited by `admin` on `Mon Mar 31 21:32:29 GMT 2025`
Record UNII	L3J052ZI94
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4-DIMETHYLPHENYLGLYOXYLIC ACID

Systematic Name

English

BENZENEACETIC ACID, 3,4-DIMETHYL-.ALPHA.-OXO-

Preferred Name

English

GLYOXYLIC ACID, 3,4-XYLYL-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70190265

Created by admin on Mon Mar 31 21:32:29 GMT 2025 , Edited by admin on Mon Mar 31 21:32:29 GMT 2025

PRIMARY

PUBCHEM

10214457

Created by admin on Mon Mar 31 21:32:29 GMT 2025 , Edited by admin on Mon Mar 31 21:32:29 GMT 2025

PRIMARY

FDA UNII

L3J052ZI94

Created by admin on Mon Mar 31 21:32:29 GMT 2025 , Edited by admin on Mon Mar 31 21:32:29 GMT 2025

PRIMARY

CAS

36799-48-1

Created by admin on Mon Mar 31 21:32:29 GMT 2025 , Edited by admin on Mon Mar 31 21:32:29 GMT 2025

PRIMARY

Details

SMILES

InChI

DescriptionSources: https://books.google.ru/books?id=1I3LBQAAQBAJ&pg=PA124&lpg=PA124&dq=SODIUM+3,4-DIMETHYLPHENYLGLYOXYLATE retrieved from Handbook of Pharmaceutical Manufacturing Formulations: Over-the-Counter Products By Sarfaraz K. Niazi, p.124 | http://www.google.nl/patents/US4822600

Approval Year

Conditions

Approved Use

Overview

OverviewOther

Drug as perpetrator​

Tox targets

Sourcing

Patents

Sample Use Guides

Description
Sources: https://books.google.ru/books?id=1I3LBQAAQBAJ&pg=PA124&lpg=PA124&dq=SODIUM+3,4-DIMETHYLPHENYLGLYOXYLATE retrieved from Handbook of Pharmaceutical Manufacturing Formulations: Over-the-Counter Products By Sarfaraz K. Niazi, p.124 | http://www.google.nl/patents/US4822600

Drug as perpetrator