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Product Overview

Product Code

TRC-I266500

CAS Number

473289-62-2

Product Format

Neat

Molecular Formula

C22 H28 N2 O5 S

Molecular Weight

432.533

Product Categories

TRC

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Ilepatril

CAS Number

473289-62-2

Molecular Formula

C22 H28 N2 O5 S

Molecular Weight

432.533

Accurate Mass

432.172

SMILES

CC(C)[C@H](SC(=O)C)C(=O)N[C@H]1Cc2ccccc2[C@H]3CCC[C@H](N3C1=O)C(=O)O

InChI

InChI=1S/C22H28N2O5S/c1-12(2)19(30-13(3)25)20(26)23-16-11-14-7-4-5-8-15(14)17-9-6-10-18(22(28)29)24(17)21(16)27/h4-5,7-8,12,16-19H,6,9-11H2,1-3H3,(H,23,26)(H,28,29)/t16-,17+,18-,19-/m0/s1

IUPAC

(4S,7S,12bR)-7-[[(2S)-2-acetylsulfanyl-3-methylbutanoyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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