ChemicalBook > CAS DataBase List > 1,3,7-TRIMETHYLURIC ACID

1,3,7-TRIMETHYLURIC ACID

Product Name: 1,3,7-TRIMETHYLURIC ACID
CAS No.: 5415-44-1
Chemical Name: 1,3,7-TRIMETHYLURIC ACID
Synonyms: ba2753;Ba 2753;Caffeine Impurity 13;1,3,7-TRIMETHYLURIC ACID;Uric acid, 1,3,7-trimethyl-;1,3,7-Trimethyluric acid - [T94326];2,6,8-TRIHYDROXY-1,3,7-TRIMETHYLPURINE;1,3,7-trimethyl-9H-purine-2,6,8-trione;1,3,7-Trimethyluric acid, 10 mM in DMSO;1,3,7-triMethyl-1H-purine-2,6,8(3H,7H,9H)-trione
CBNumber: CB8125682
Molecular Formula: C8H10N4O3
Formula Weight: 210.19
MOL File: 5415-44-1.mol

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1,3,7-TRIMETHYLURIC ACID Property

Melting point:: ≥300 °C
Boiling point:: 349.7°C (rough estimate)
Density: 1.3649 (rough estimate)
refractive index: 1.6590 (estimate)
storage temp.: Refrigerator
solubility: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
form: Solid
pka: 5.85±0.70(Predicted)
color: White to Pale Beige
Water Solubility: 24mg/L(room temperature)
InChI: InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)
InChIKey: BYXCFUMGEBZDDI-UHFFFAOYSA-N
SMILES: N1(C)C2=C(N(C)C(=O)N(C)C2=O)NC1=O

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Safety

WGK Germany: 2
RTECS: UP0783750

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TCI Chemical

Product number: T3646
Product name: 1,3,7-Trimethyluric Acid
Packaging: 100MG
Price: $402
Updated: 2025/07/31

Cayman Chemical

Product number: 16949
Product name: 1,3,7-Trimethyluric Acid
Purity: ≥98%
Packaging: 25mg
Price: $62
Updated: 2024/03/01

Cayman Chemical

Product number: 16949
Product name: 1,3,7-Trimethyluric Acid
Purity: ≥98%
Packaging: 50mg
Price: $115
Updated: 2024/03/01

Cayman Chemical

Product number: 16949
Product name: 1,3,7-Trimethyluric Acid
Purity: ≥98%
Packaging: 100mg
Price: $216
Updated: 2024/03/01

Cayman Chemical

Product number: 16949
Product name: 1,3,7-Trimethyluric Acid
Purity: ≥98%
Packaging: 250mg
Price: $477
Updated: 2024/03/01

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1,3,7-TRIMETHYLURIC ACID Chemical Properties,Usage,Production

Uses

1,3,7-Trimethyluric Acid is a caffeine derivative, and a methyl derivative of uric acid. Detected as a urine marker of caffeine consumption.

Definition

ChEBI: An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8, and the nitrogens at positions 1, 3, and 7 are substituted by methyl groups. It is a metabolite of caffeine.

Purification Methods

Crystallise it from water and dry it at 100o in a vacuum. It has UV: 289nm (pH 2.5). [Beilstein 26 III/IV 2623.]

1,3,7-TRIMETHYLURIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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5415-44-1, 1,3,7-TRIMETHYLURIC ACIDRelated Search:

6-Aminouracil 1,3-Dimethyluracil 1,3-Dimethyluric acid 5,6-Diamino-1-methyluracil 1,3-Dihydroimidazol-2-one 5,6-DIAMINO-2,4-DIHYDROXYPYRIMIDINE SULFATE 1-METHYLURIC ACID 1,3-Dihydro-4-methyl-2H-imidazol-2-one TETRAMETHYLURIC ACID 3-Methyl-6-methylaminouracil Uric acid 1,3,7-TRIMETHYLURIC ACID ethylenediurea 6-Amino-1-methyluracil 5,6-Diamino-1,3-dimethyluracil hydrate 6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione 6-METHYLAMINOURACIL 1,7-DIMETHYLURIC ACID

1,3,7-Trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione

1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7-trimethyl-

7,9-dihydro-1,3,7-trimethyl-1h-purine-2,6,8(3h)-trione

8(3h)-trione,7,9-dihydro-1,3,7-trimethyl-1h-purine-6

Ba 2753

ba2753

Uric acid, 1,3,7-trimethyl-

2,6,8-TRIHYDROXY-1,3,7-TRIMETHYLPURINE

1,3,7-TRIMETHYLURIC ACID

1,3,7-trimethyl-9H-purine-2,6,8-trione

1,3,7-triMethyl-1H-purine-2,6,8(3H,7H,9H)-trione

caffeine metabolite,Inhibitor,1,3,7-Trimethyluric acid,inhibit,Endogenous Metabolite,biomarker,CYP3A activity,1,3,7Trimethyluric acid,1,3,7 Trimethyluric acid

Caffeine Impurity 13

1,3,7-Trimethyluric acid, 10 mM in DMSO

1,3,7-Trimethyluric acid - [T94326]

5415-44-1

Building Blocks

Purines

Heterocyclic Building Blocks