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Product Overview

Product Code

TRC-T343854

CAS Number

1782458-84-7

Product Format

Neat

Molecular Formula

C513C2H2D6N4O2

Molecular Weight

188.19

API Family

Theophylline

Product Categories

TRC, Impurity Reference Materials , Stable isotopes, Stable Isotope Labelled Analytical Standards, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

58-55-9

Drug Type

Skeletal Muscle Relaxants (non-Benzodiazepine)

Documentation

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Product Information

Chemical Data

Analyte Name

Theophylline-13C2d6

CAS Number

1782458-84-7

Molecular Formula

C513C2H2D6N4O2

Molecular Weight

188.19

Accurate Mass

188.1091

SMILES

O=C1C2=C(N=CN2)N([13C]([2H])([2H])[2H])C(N1[13C]([2H])([2H])[2H])=O

InChI

InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)/i1+1D3,2+1D3

Unlabelled CAS Number

58-55-9

SIL Type

Deuterium, Carbon

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Theophylline

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Chemical Data

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Theophylline-13C2d6

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