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Product Overview

Product Code

TRC-O669452

Product Format

Neat

Molecular Formula

C15H4D6Cl2N3¹⁵NO6

Molecular Weight

420.2

API Family

Opicapone

Product Categories

API Reference Standards & Research Materials, Stable isotopes, Pharmaceutical Toxicology Reference Materials , TRC

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

923287-50-7

Product Information

Chemical Data

Analyte Name

Opicapone-D6,15N

Molecular Formula

C15H4D6Cl2N3¹⁵NO6

Molecular Weight

420.2

Accurate Mass

419.03

SMILES

OC1=CC(C2=NC(C3=C(C([2H])([2H])[2H])C(Cl)=C(C([2H])([2H])[2H])[N+]([O-])=C3Cl)=[15N]O2)=CC([N+]([O-])=O)=C1O

InChI

InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3/i1D3,2D3,19+1

IUPAC

2,5-dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl-2-15N)-4,6-bis(methyl-d3)pyridine 1-oxide

Unlabelled CAS Number

923287-50-7

SIL Type

Nitrogen, Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Opicapone

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