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Product Overview

Product Code

TRC-I751020

CAS Number

224170-69-8

Product Format

Neat

Molecular Formula

C38H44N6O10

Molecular Weight

744.79

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

Irbesartan N-beta-D-2,3,4-Tri-O-acetyl-glucuronide Methyl Ester

CAS Number

224170-69-8

Molecular Formula

C38H44N6O10

Molecular Weight

744.79

Accurate Mass

744.3119

SMILES

CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nnn(n5)[C@@H]6O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]6OC(=O)C)C(=O)OC

InChI

InChI=1S/C38H44N6O10/c1-6-7-14-29-39-38(19-10-11-20-38)37(49)43(29)21-25-15-17-26(18-16-25)27-12-8-9-13-28(27)34-40-42-44(41-34)35-32(53-24(4)47)30(51-22(2)45)31(52-23(3)46)33(54-35)36(48)50-5/h8-9,12-13,15-18,30-33,35H,6-7,10-11,14,19-21H2,1-5H3/t30-,31-,32+,33-,35+/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]tetrazol-2-yl]oxane-2-carboxylate

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

An intermediate in the production of Irbesartan metabolites

References: Perrier, L., et al.: J. Pharmacol. Exp. Ther., 271, 91 (1994), Wexler, R., et al.: J. Med. Chem., 39, 625 (1996),

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Irbesartan N-Beta-D-2,3,4-Tri-O-acetyl-glucuronide Methyl Ester

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