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Product Overview

Product Code

TRC-E508195

CAS Number

864821-90-9

Product Format

Neat

Molecular Formula

C32 H35 N5 O5

Molecular Weight

569.65

API Family

Eluxadoline

Product Categories

TRC, Impurity Reference Materials , Additional Neuro Products, API Reference Standards & Research Materials

Product Type

Bioactive small molecule, Impurity, API

Documentation

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Product Information

Chemical Data

Analyte Name

Eluxadoline

CAS Number

864821-90-9

Molecular Formula

C32 H35 N5 O5

Molecular Weight

569.65

Accurate Mass

569.2638

SMILES

COc1ccc(CN([C@@H](C)c2nc(c[nH]2)c3ccccc3)C(=O)[C@@H](N)Cc4c(C)cc(cc4C)C(=O)N)cc1C(=O)O

InChI

InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1

IUPAC

5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Eluxadoline

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Eluxadoline

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