CAS 1260617-50-2

β-D-Glucopyranuronic acid, 1-[(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate]

Description:

β-D-Glucopyranuronic acid is a derivative of glucose, characterized by the presence of a carboxylic acid group at the C6 position, which imparts acidic properties and enhances its solubility in water. This compound typically exists in a cyclic pyranose form, exhibiting a six-membered ring structure that is common among sugars. The presence of the glucuronic acid moiety suggests potential roles in biological processes, such as detoxification and metabolism, as it can conjugate with various substances to facilitate their excretion. The specific compound you mentioned also contains a complex indole-based structure, which may contribute to its biological activity and pharmacological properties. The stereochemistry indicated by the (2S,3aR,7aS) and (1S) designations suggests specific spatial arrangements of atoms that can significantly influence the compound's interactions with biological targets. Overall, this substance may exhibit unique characteristics due to its structural complexity, potentially making it of interest in medicinal chemistry and drug development.

Formula: C₃₀H₄₂N₂O₁₁

InChI: InChI=1S/C30H42N2O11/c1-3-41-28(39)19(14-13-17-9-5-4-6-10-17)31-16(2)26(36)32-20-12-8-7-11-18(20)15-21(32)29(40)43-30-24(35)22(33)23(34)25(42-30)27(37)38/h4-6,9-10,16,18-25,30-31,33-35H,3,7-8,11-15H2,1-2H3,(H,37,38)/t16-,18+,19-,20-,21-,22-,23-,24+,25-,30-/m0/s1

InChI key: InChIKey=XIVXFEAPQLOONX-UCXQGGPXSA-N

SMILES: C([C@@H](N[C@@H](CCC1=CC=CC=C1)C(OCC)=O)C)(=O)N2[C@@]3([C@@](C[C@H]2C(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)=O)(CCCC3)[H])[H]

Synonyms:

• β-D-Glucopyranuronic acid, 1-[(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate]
• Trandolapril glucuronide
• Trandolapril Acyl-β-D-glucuronide, 85%
• Trandolapril Acyl--D-glucuronide, 85%

Trandolapril Acyl-β-D-glucuronide, 85%

Controlled Product

CAS: 1260617-50-2

Formula: C₃₀H₄₂N₂O₁₁

Purity: 85%

Color and Shape: Neat

Molecular weight: 606.661

Ref: TR-T713510

Trandolapril acyl-β-D-glucuronide

CAS: 1260617-50-2

Trandolapril acyl-β-D-glucuronide (TAPG) is a drug product that is used for research and development. It is a metabolite of the drug trandolapril, which is used for hypertension and heart failure. TAPG has been found to be an impurity in some batches of trandolapril. TAPG has been shown to have the same pharmacological properties as trandolapril, but at a lower dose.

Formula: C₃₀H₄₂N₂O₁₁

Purity: Min. 95%

Molecular weight: 606.7 g/mol

Ref: 3D-KAC61750