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Product Overview

Product Code

TRC-R070602

CAS Number

1246815-11-1

Product Format

Neat

Molecular Formula

C21H18D5NO4S

Molecular Weight

390.51

API Family

Racecadotril

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Impurity, Stable Isotope Labelled, API

Unlabelled CAS Number

81110-73-8

Documentation

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Product Information

Chemical Data

Analyte Name

Racecadotril-d5

CAS Number

1246815-11-1

Molecular Formula

C21H18D5NO4S

Molecular Weight

390.51

Accurate Mass

390.1662

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])COC(=O)CNC(=O)C(CC2=CC=CC=C2)CSC(=O)C)[2H])[2H]

InChI

InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)/i3D,6D,7D,10D,11D

IUPAC

(2,3,4,5,6-pentadeuteriophenyl)methyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate

Unlabelled CAS Number

81110-73-8

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Racecadotril

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