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Product Overview

Product Code

TRC-S699283

CAS Number

80206-91-3

Product Format

Neat

Molecular Formula

C13 H12 N4 O5 S

Molecular Weight

336.323

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

8(-p-Sulfophenyl)theophylline

CAS Number

80206-91-3

Molecular Formula

C13 H12 N4 O5 S

Molecular Weight

336.323

Accurate Mass

336.053

SMILES

CN1C(=O)N(C)c2nc([nH]c2C1=O)c3ccc(cc3)S(=O)(=O)O

InChI

InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22)

IUPAC

4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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