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Product Overview

Product Code

TRC-P689427

CAS Number

1346602-48-9

Product Format

Neat

Molecular Formula

C18 D3 H11 F3 N3 O6 S

Molecular Weight

460.399

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Stable isotopes

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

69004-04-2

Documentation

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Product Information

Chemical Data

Analyte Name

Ponazuril D3 (N-methyl D3)

CAS Number

1346602-48-9

Molecular Formula

C18 D3 H11 F3 N3 O6 S

Molecular Weight

460.399

Accurate Mass

460.074

SMILES

[2H]C([2H])([2H])N1C(=O)NC(=O)N(C1=O)c2ccc(Oc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(C)c2

InChI

InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)/i2D3

IUPAC

1-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-3-(trideuteriomethyl)-1,3,5-triazinane-2,4,6-trione

Unlabelled CAS Number

69004-04-2

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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