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Product Overview

Product Code

TRC-V851960

CAS Number

1190389-15-1

Product Format

Neat

Molecular Formula

C26 H28 N4 O3

Molecular Weight

444.526

Product Categories

API Reference Standards & Research Materials, TRC

Documentation

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Product Information

Chemical Data

Analyte Name

Vibegron

CAS Number

1190389-15-1

Molecular Formula

C26 H28 N4 O3

Molecular Weight

444.526

Accurate Mass

444.216

SMILES

O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)cc2)N1)c5ccccc5 |r|

InChI

InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1

IUPAC

(6S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

Product Data

Country of Origin

CANADA

Product Format

Neat

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