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Product Overview

Product Code

TRC-A107250

CAS Number

1668553-26-1

Product Format

Neat

Molecular Formula

C46 H55 N7 O7 S

Molecular Weight

850.037

Product Categories

TRC

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Abbvie Mcl-1 Inhibitor

CAS Number

1668553-26-1

Molecular Formula

C46 H55 N7 O7 S

Molecular Weight

850.037

Accurate Mass

849.388

SMILES

CN(C)S(=O)(=O)N1CCN(CC1)c2ccc(OCc3c(c(C)nn3C)c4cccc5c(CCCOc6cccc7ccccc67)c(C(=O)O)n(CCN8CCOCC8)c45)cc2

InChI

InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)

IUPAC

7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethylpyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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