Product Code

TRC-C281112

CAS Number

1216444-13-1

Product Format

Neat

Molecular Formula

C21 D8 H17 Cl N2 O4

Molecular Weight

412.937

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

1076199-80-8

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

rac Cetirizine-d8 N-Oxide

CAS Number

1216444-13-1

Molecular Formula

C21 D8 H17 Cl N2 O4

Molecular Weight

412.937

Accurate Mass

412.2

SMILES

[2H]C1([2H])N(C(c2ccccc2)c3ccc(Cl)cc3)C([2H])([2H])C([2H])([2H])N(=O)(CCOCC(=O)O)C1([2H])[2H]

InChI

InChI=1S/C21H25ClN2O4/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)23-10-12-24(27,13-11-23)14-15-28-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/i10D2,11D2,12D2,13D2

IUPAC

2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-2,2,3,3,5,5,6,6-octadeuterio-1-oxo-1?5,4-diazinan-1-yl]ethoxy]acetic acid

Unlabelled CAS Number

1076199-80-8

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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rac Cetirizine-d8 N-Oxide

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