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Product Overview

Product Code

TRC-P319571

CAS Number

1325559-13-4

Product Format

Neat

Molecular Formula

C7 H20 N2 O2

Molecular Weight

320.29

API Family

Phenylbutazone

Product Categories

TRC, Stable isotopes, Cyclooxygenase, Pain and Inflammation, Stable Isotope Labelled Analytical Standards

Product Type

Stable Isotope Labelled, Contaminant

Documentation

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Product Information

Chemical Data

Analyte Name

Phenylbutazone diphenyl-13C12

CAS Number

1325559-13-4

Molecular Formula

C7 H20 N2 O2

Molecular Weight

320.29

Accurate Mass

320.1927

SMILES

CCCCC1C(=O)N(N([13c]2[13cH][13cH][13cH][13cH][13cH]2)C1=O)[13c]3[13cH][13cH][13cH][13cH][13cH]3

InChI

InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3/i4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,15+1,16+1

IUPAC

4-butyl-1,2-di((1,2,3,4,5,6-13C6)phenyl)pyrazolidine-3,5-dione

SIL Type

Carbon

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Phenylbutazone

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