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7,9-Dihydro-1,3,7-trimethyl-1H-purin-2,6,8(3H)-trion

1,3,7-TRIMETHYLURIC ACID Struktur
5415-44-1
CAS-Nr.
5415-44-1
Bezeichnung:
7,9-Dihydro-1,3,7-trimethyl-1H-purin-2,6,8(3H)-trion
Englisch Name:
1,3,7-TRIMETHYLURIC ACID
Synonyma:
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
Summenformel:
C8H10N4O3
Molgewicht:
210.19
MOL-Datei:
5415-44-1.mol

7,9-Dihydro-1,3,7-trimethyl-1H-purin-2,6,8(3H)-trion Eigenschaften

Schmelzpunkt:
≥300 °C
Siedepunkt:
349.7°C (rough estimate)
Dichte
1.3649 (rough estimate)
Brechungsindex
1.6590 (estimate)
storage temp. 
Refrigerator
L?slichkeit
DMSO (Slightly, Heated), Methanol (Slightly, Heated)
Aggregatzustand
Solid
pka
5.85±0.70(Predicted)
Farbe
White to Pale Beige
Wasserl?slichkeit
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

Sicherheit

WGK Germany  2
RTECS-Nr. UP0783750

7,9-Dihydro-1,3,7-trimethyl-1H-purin-2,6,8(3H)-trion Chemische Eigenschaften,Einsatz,Produktion Methoden

Verwenden

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.

l?uterung methode

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

7,9-Dihydro-1,3,7-trimethyl-1H-purin-2,6,8(3H)-trion Upstream-Materialien And Downstream Produkte

Upstream-Materialien

1,3,7-trimethyl-8-nitro-purine-2,6-dione 7,9-Dihydro-1,7-dimethyl-1H-purin-2,6,8(3H)-trion 6-Amino-1,3-dimethyluracil 6-Amino-1,3-dimethyl-5-(methylamino)-2,4(1H,3H)-pyrimidinedione 8-Chlor-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion 1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione Harnsure Methyljodid Dimethylcarbonat Coffein 1,1'-Carbonylbis-1H-imidazol

Downstream Produkte

Theophyllin 4-METHYL-2-HEPTENE

7,9-Dihydro-1,3,7-trimethyl-1H-purin-2,6,8(3H)-trion Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.

Global( 77)Lieferanten
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5415-44-1(7,9-Dihydro-1,3,7-trimethyl-1H-purin-2,6,8(3H)-trion)Verwandte Suche:

  • 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
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