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Product Overview

Product Code

TRC-H948962

CAS Number

111342-31-5

Product Format

Neat

Molecular Formula

C12 2H5 H7 N2 O4

Molecular Weight

253.27

API Family

Phenobarbital

Product Categories

TRC, Barbiturate Reference Materials , Impurity Reference Materials , Additional Neuro Products, Stable isotopes

Product Type

Stable Isotope Labelled, Impurity, Metabolite

Unlabelled CAS Number

379-34-0

Drug Type

Barbiturates

Documentation

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Product Information

Chemical Data

Analyte Name

4-Hydroxyphenobarbital-d5

CAS Number

111342-31-5

Molecular Formula

C12 2H5 H7 N2 O4

Molecular Weight

253.27

Accurate Mass

253.1111

SMILES

[2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)c2ccc(O)cc2

InChI

InChI=1S/C12H12N2O4/c1-2-12(7-3-5-8(15)6-4-7)9(16)13-11(18)14-10(12)17/h3-6,15H,2H2,1H3,(H2,13,14,16,17,18)/i1D3,2D2

IUPAC

5-(4-hydroxyphenyl)-5-(1,1,2,2,2-pentadeuterioethyl)-1,3-diazinane-2,4,6-trione

Unlabelled CAS Number

379-34-0

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Phenobarbital

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Product Overview

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Chemical Data

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4-Hydroxy Phenobarbital-d5

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