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

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	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

PubMed

PubMed

Show entries

Title	Date	PubMed
Theophylline metabolism: variation and genetics.	1984 Feb	6362955
Cystic fibrosis: enhanced theophylline metabolism may be linked to the disease.	1988 Sep	3046811
Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii.	1995 Nov 9	7503772
Neurotoxic convulsions induced by theophylline and its metabolites in mice.	1996 Jun	8799489
Caffeine metabolism before and after liver transplantation.	2001 Feb	11270802

Showing 1 to 5 of 17 entries

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Substance Class	Chemical
Record UNII	C222JTI9I3
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

THEOPHYLLINE IMPURITY E [EP IMPURITY]

Preferred Name

English

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 MONOHYDRATE IMPURITY E [EP IMPURITY]

Common Name

English

Showing 1 to 5 of 10 entries

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Show entries

Code System

Code

Type

Description

EPA CompTox

DTXSID50241466

PRIMARY

ECHA (EC/EINECS)

213-410-1

PRIMARY

CHEBI

68447

PRIMARY

NSC

95854

PRIMARY

MESH

C031274

PRIMARY

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Type

Details


					0I55128JYK

THEOPHYLLINE ANHYDROUS

PARENT -> METABOLITE INACTIVE

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Type

Details


					27Y3KJK423

AMINOPHYLLINE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

[<0.1] PERCENT PEAK AREA (limits)


					C137DTR5RG

THEOPHYLLINE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

[<0.1] PERCENT PEAK AREA (limits)


					27Y3KJK423

AMINOPHYLLINE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:

[<0.1] PERCENT PEAK AREA (limits)


					0I55128JYK

THEOPHYLLINE ANHYDROUS

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

[<0.1] PERCENT PEAK AREA (limits)

Showing 1 to 4 of 4 entries

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