1,3-DIMETHYLURIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8N4O3
Molecular Weight	196.1634
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O

InChI

InChIKey=OTSBKHHWSQYEHK-UHFFFAOYSA-N

InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)

HIDE SMILES / InChI

Molecular Formula	C7H8N4O3
Molecular Weight	196.1634
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Cystic fibrosis: enhanced theophylline metabolism may be linked to the disease.	1988 Sep	3046811
Use of novel solid-phase extraction sorbent materials for high-performance liquid chromatography quantitation of caffeine metabolism products methylxanthines and methyluric acids in samples of biological origin.	2001 Aug 15	11499474
Caffeine metabolism before and after liver transplantation.	2001 Feb	11270802
Separation, pre-concentration, and HPLC analysis of methylxanthines in urine samples.	2004 Oct	15537072
Liver dysfunction markedly decreases the inhibition of cytochrome P450 1A2-mediated theophylline metabolism by fluvoxamine.	2006 May	16678550
Nitrosation of N-methyl derivatives of uric acid and their transnitrosation ability to N-acetylcysteine.	2010 Sep	20823616

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:36:15 GMT 2023` Edited by `admin` on `Fri Dec 15 18:36:15 GMT 2023`
Record UNII	C222JTI9I3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-DIMETHYLURIC ACID

Systematic Name

English

7,9-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6,8(3H)-TRIONE

Systematic Name

English

NSC-95854

Code

English

THEOPHYLLINE IMPURITY E [EP IMPURITY]

Common Name

English

THEOPHYLLINE MONOHYDRATE IMPURITY E [EP IMPURITY]

Common Name

English

DIMETHYL URIC ACID [USP IMPURITY]

Common Name

English

OXYTHEOPHYLLINE

Common Name

English

1,3-DIMETHYL-7,9-DIHYDRO-1H-PURINE-2,6,8(3H)-TRIONE

Systematic Name

English

BA-2751

Code

English

1H-PURINE-2,6,8(3H)-TRIONE, 7,9-DIHYDRO-1,3-DIMETHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50241466