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Product Overview

Product Code

TRC-M515805

Product Format

Neat

Molecular Formula

C20 H13 F6 N3 O4 S

Molecular Weight

505.39

API Family

Monepantel

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials

Product Type

Metabolite

Alternate CAS Number

Racemic: 851976-52-8

Documentation

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Product Information

Chemical Data

Analyte Name

(R)-Monepantel Sulfone

Molecular Formula

C20 H13 F6 N3 O4 S

Molecular Weight

505.39

Accurate Mass

505.0531

SMILES

C[C@@](COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c2ccc(cc2)S(=O)(=O)C(F)(F)F)C#N

InChI

InChI=1S/C20H13F6N3O4S/c1-18(10-28,11-33-16-8-12(9-27)2-7-15(16)19(21,22)23)29-17(30)13-3-5-14(6-4-13)34(31,32)20(24,25)26/h2-8H,11H2,1H3,(H,29,30)/t18-/m1/s1

IUPAC

N-[(1R)-1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methyl-ethyl]-4-(trifluoromethylsulfonyl)benzamide

Alternate CAS Number

Racemic: 851976-52-8

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Monepantel

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