CAS 13460-98-5

7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Description:

The chemical substance known as 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, with the CAS number 13460-98-5, is a purine derivative that exhibits properties characteristic of both a nucleobase and a phenolic compound. This compound features a complex structure that includes a purine ring system, which is fundamental in biochemistry, particularly in the context of nucleic acids and energy transfer molecules like ATP. The presence of multiple hydroxyl groups suggests potential for hydrogen bonding and increased solubility in polar solvents. Its aminoethyl side chain may contribute to its biological activity, possibly influencing interactions with biological macromolecules. This compound is of interest in pharmacology and medicinal chemistry, as modifications to purine structures can lead to various therapeutic applications, including roles as inhibitors or modulators in biochemical pathways. Overall, its unique structural features position it as a significant compound for further research in drug development and biochemical studies.

Formula: C₁₇H₂₁N₅O₅

InChI: InChI=1/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3

InChI key: InChIKey=WMCMJIGLYZDKRN-UHFFFAOYSA-N

SMILES: C(CNCC(O)C1=CC(O)=C(O)C=C1)N2C3=C(N=C2)N(C)C(=O)N(C)C3=O

Synonyms:

• 1H-Purine-2,6-dione, 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-
• 7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)theophylline
• 7-(2-(2-(3,4-Dihydroxyphenyl)-2-hydroxyethylamino)ethyl)theophylline
• 7-(2-(2-Hydroxy-2-(3,4-dihydroxyphenyl)ethylamino)ethyl)theophylline
• 7-(2-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
• 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
• Brn 0590101
• D 470
• Noradrenaline theophylline
• Norphedrinoethyltheophylline
• Teodrenalina
• Teodrenalina [INN-Spanish]
• Theodrenalina
• Theodrenalina [DCIT]
• Theodrenaline [INN:BAN]
• Theodrenalinum
• Theodrenalinum [INN-Latin]
• Theophylline, 7-(2-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-
• Theophylline, 7-(2-((beta,3,4-trihydroxyphenethyl)amino)ethyl)- (7CI,8CI)
• Theophylline, 7-[2-[(β,3,4-trihydroxyphenethyl)amino]ethyl]-
• Unii-Rw8Pd99T8G
• Theodrenaline
• 5-26-14-00012 (Beilstein Handbook Reference)
• (±)-Theodrenaline

Theodrenaline

CAS: 13460-98-5

Theodrenaline is a cardiac stimulant, also acts as an agent of anti-hypotensive together with cafedrine.

Formula: C₁₇H₂₁N₅O₅

Purity: 98%

Color and Shape: Solid

Molecular weight: 375.38

Ref: TM-T13142