CAS 879292-21-4

Silodosin β-D-Glucuronide N-Carboxybenzyl O-Methyl Tri-acetate

Description:

Silodosin β-D-Glucuronide N-Carboxybenzyl O-Methyl Tri-acetate is a chemical compound that serves as a metabolite of Silodosin, a medication primarily used to treat benign prostatic hyperplasia. This compound is characterized by its complex structure, which includes multiple functional groups such as glucuronide, carboxybenzyl, and methoxyacetate moieties. These functional groups contribute to its solubility and reactivity, influencing its pharmacokinetic properties. The presence of the glucuronide moiety suggests that it may be involved in phase II metabolism, enhancing the compound's water solubility for excretion. Additionally, the tri-acetate groups indicate potential for esterification, which can affect the compound's stability and bioavailability. As a metabolite, Silodosin β-D-Glucuronide may exhibit different pharmacological effects compared to its parent compound, and understanding its characteristics is crucial for evaluating its role in therapeutic applications and potential side effects. Overall, this compound exemplifies the complexity of drug metabolism and the importance of structural modifications in influencing biological activity.

Formula: C₄₆H₅₄F₃N₃O₁₅

InChI: InChI=1S/C46H54F3N3O15/c1-27(52(45(58)62-25-31-12-7-6-8-13-31)19-21-60-35-14-9-10-15-36(35)63-26-46(47,48)49)22-32-23-33-16-18-51(37(33)34(24-32)42(50)56)17-11-20-61-44-41(66-30(4)55)39(65-29(3)54)38(64-28(2)53)40(67-44)43(57)59-5/h6-10,12-15,23-24,27,38-41,44H,11,16-22,25-26H2,1-5H3,(H2,50,56)/t27-,38+,39+,40+,41-,44-/m1/s1

InChI key: DZRNTCOFDRSOTD-RAYBNDBXSA-N

SMILES: C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)N(CCOC4=CC=CC=C4OCC(F)(F)F)C(=O)OCC5=CC=CC=C5

Synonyms:

• Silodosin β-D-Glucuronide N-Carboxybenzyl O-Methyl Tri-acetate
• -D-GlucuronideN-CarboxybenzylO-MethylTri-acetate
• Silodosin Impurity 57

Silodosin Beta-D-Glucuronide N-Carboxybenzyl O-Methyl Tri-acetate

Controlled Product

CAS: 879292-21-4

Applications Silodosin β-D-Glucuronide N-Carboxybenzyl O-Methyl Tri-acetate is an intermediate in synthesizing Silodosin β-D-Glucuronide Sodium Salt (S465010), which is an adrenergic α1 antagonist and a metabolite of Silodosin (S465000).

Formula: C₄₆H₅₄F₃N₃O₁₅

Color and Shape: Neat

Molecular weight: 945.93

Ref: TR-S465008