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Product Overview

Product Code

TRC-D101414

CAS Number

200568-74-7

Product Format

Neat

Molecular Formula

C20 H15 Cl F3 N3 O5

Molecular Weight

469.80

Product Categories

TRC, Pesticide & Metabolite Reference Materials and Research Chemicals , Pesticide and Metabolite Reference Materials , Pharmaceutical Toxicology Reference Materials

Product Type

Contaminant

Documentation

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Product Information

Chemical Data

Analyte Name

(S)-Indoxacarb metabolite IN-JT 333

CAS Number

200568-74-7

Molecular Formula

C20 H15 Cl F3 N3 O5

Molecular Weight

469.80

Accurate Mass

469.0652

SMILES

COC(=O)[C@]12Cc3cc(Cl)ccc3C1=NN(CO2)C(=O)Nc4ccc(OC(F)(F)F)cc4

InChI

InChI=1S/C20H15ClF3N3O5/c1-30-17(28)19-9-11-8-12(21)2-7-15(11)16(19)26-27(10-31-19)18(29)25-13-3-5-14(6-4-13)32-20(22,23)24/h2-8H,9-10H2,1H3,(H,25,29)/t19-/m0/s1

IUPAC

methyl (4aS)-7-chloro-2-[[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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N-Decarboxymethylated Indoxacarb

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