CAS 889359-84-6

2-[4-(2-Amino-2-oxoethyl)phenoxy]-1-[[(1-methylethyl)amino]methyl]ethyl β-D-glucopyranosiduronic acid

Description:

The chemical substance known as 2-[4-(2-Amino-2-oxoethyl)phenoxy]-1-[[(1-methylethyl)amino]methyl]ethyl β-D-glucopyranosiduronic acid, with the CAS number 889359-84-6, is a complex organic compound characterized by its unique structural features. It contains a glucopyranosiduronic acid moiety, which indicates the presence of a sugar derivative with uronic acid functionality, contributing to its potential biological activity. The compound also features an amino group and a phenoxy group, suggesting possible interactions with biological targets, such as enzymes or receptors. Its structure implies that it may exhibit solubility in polar solvents due to the presence of hydroxyl and amino groups, which can engage in hydrogen bonding. Additionally, the presence of an isopropyl group hints at hydrophobic characteristics that could influence its pharmacokinetics. Overall, this compound may have applications in medicinal chemistry, particularly in the development of therapeutics, but specific biological activities and properties would require further investigation through experimental studies.

Formula: C₂₀H₃₀N₂O₉

InChI: InChI=1S/C20H30N2O9/c1-10(2)22-8-13(9-29-12-5-3-11(4-6-12)7-14(21)23)30-20-17(26)15(24)16(25)18(31-20)19(27)28/h3-6,10,13,15-18,20,22,24-26H,7-9H2,1-2H3,(H2,21,23)(H,27,28)/t13?,15-,16-,17+,18-,20+/m0/s1

InChI key: InChIKey=TUFRIQODZMVHRP-RLYWBOKJSA-N

SMILES: O(C(COC1=CC=C(CC(N)=O)C=C1)CNC(C)C)[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O

Synonyms:

• Atenolol glucuronide
• 2-[4-(2-Amino-2-oxoethyl)phenoxy]-1-[[(1-methylethyl)amino]methyl]ethyl β-D-glucopyranosiduronic acid
• β-D-Glucopyranosiduronic acid, 2-[4-(2-amino-2-oxoethyl)phenoxy]-1-[[(1-methylethyl)amino]methyl]ethyl

Atenolol β-D-Glucuronide

Controlled Product

CAS: 889359-84-6

Formula: C₂₀H₃₀N₂O₉

Color and Shape: Neat

Molecular weight: 442.47

Ref: TR-A790090

Atenolol-d7 β-D-Glucuronide

Controlled Product

CAS: 889359-84-6

Formula: C₂₀H₂₃D₇N₂O₉

Color and Shape: Neat

Molecular weight: 388.341

Ref: TR-A790092

Atenolol β-D-Glucuronide

CAS: 889359-84-6

Formula: C₂₀H₃₀N₂O₉

Molecular weight: 442.47

Ref: ST-EA-CP-A29021