1,7-Dimethyluric acid - Moligand™, ≥97% , CAS No.33868-03-0

CAS: 33868-03-0 Cat. No.: D1436684 Formula: C₇H₈N₄O₃ Peso molecolare: 196.16 Beilstein Registry Number: 219682 Numero EC: 251-706-2 PubChem CID: 91611

GRADE & PURITY Moligand™, ≥97%

Synonyms

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

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

1,7-Dimethyluric acid is an important metabolite of caffeine.Electrochemical oxidation of 1,7-dimethyluric acid was studied over a wide pH range of 2.2-10.3 at solid electrodes.

Application：

1,7-Dimethyluric acid is the suitable reagent used for the simultaneous determination of plasma levels of theophylline and its metabolites without interference from caffeine or caffeine metabolites by HPLC.  

Specifications

Sinonimi

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

Specifiche e purezza

Moligand™, ≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CN1C2=C(NC1=O)NC(=O)N(C2=O)C

IUPAC Name

1,7-dimethyl-3,9-dihydropurine-2,6,8-trione

InChIKey

NOFNCLGCUJJPKU-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CN1C2=C(NC1=O)NC(=O)N(C2=O)C

WGK Germania

3

PubChem CID

91611

Peso molecolare

196.16

Beilstein

219682

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Xanthines
• Alternative Parents: 6-oxopurines Alkaloids and derivatives Pyrimidones Hydroxypyrimidines N-substituted imidazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Hydroxypyrimidine - N-substituted imidazole - Pyrimidine - Imidazole - Azole - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y