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1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine Sodium Salt

Product Code

TRC-A552650

CAS Number

149981-25-9

Product Format

Neat

Molecular Formula

C16 H15 N4 O5 S . Na

Molecular Weight

398.37

Alternate CAS Number

Free acid: 149981-25-9

Price and availability

48-hour USA dispatch time
If Exact Weight packaging is selected, a certificate will be delivered with the product, which will indicate the mass of the material dispensed into the vial with a precision of up to 3 decimal places. Exceptions apply.

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Product Information

Chemical Data

Analyte Name

1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine, Sodium Salt

CAS Number

149981-25-9

Molecular Formula

C16 H15 N4 O5 S . Na

Molecular Weight

398.37

Accurate Mass

398.0661

SMILES

[Na+].CN1C(=O)N(CC=C)C(=O)c2c1nc(c3ccc(cc3)S(=O)(=O)[O-])n2C

InChI

InChI=1S/C16H16N4O5S.Na/c1-4-9-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)10-5-7-11(8-6-10)26(23,24)25;/h4-8H,1,9H2,2-3H3,(H,23,24,25);/q;+1/p-1

IUPAC

sodium;4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonate

Alternate CAS Number

Free acid: 149981-25-9

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

A weak water soluble A2 adenosine receptor antagonist. UV lmax (log e, MeOH): 203 nm (4.45), 239 nm (4.34), 301 nm (4.26).

References: J. Med. Chem., 38, 2639 (1993); Biochem. Biophys. Res. Commun., 198, 626 (1994)

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