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Product Overview

Product Code

TRC-H298501

Product Format

Neat

Molecular Formula

C17 D11 H10 Cl N2 O2 S

Molecular Weight

363.95

Product Categories

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

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

78587-05-0

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Hexythiazox-d11

Molecular Formula

C17 D11 H10 Cl N2 O2 S

Molecular Weight

363.95

Accurate Mass

363.1703

SMILES

[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(NC(=O)N2[C@@H](C)[C@@H](SC2=O)c3ccc(Cl)cc3)C([2H])([2H])C1([2H])[2H]

InChI

InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1/i2D2,3D2,4D2,5D2,6D2,14D

IUPAC

(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)thiazolidine-3-carboxamide

Unlabelled CAS Number

78587-05-0

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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