Benzenesulfonic acid,4-[2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1-(2-propen-1-yl)-1H-purin-8-yl]-

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Catalog Number

ACM149981259

Product Name

Structure

CAS

149981-25-9

Category

Heterocyclic Organic Compound

Synonyms

4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid; 1-Allyl-3,7-dimethyl-8-sulfophenylxanthine;

IUPAC Name

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

Molecular Weight

398.37

Molecular Formula

C₁₆H₁₆N₄O₅S

Canonical SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)O)N(C(=O)N(C2=O)CC=C)C

InChI Key

CDMZOKMMANFJMU-UHFFFAOYSA-N

Melting Point

>300ºC

Density

1.49 g/cm³

Exact Mass

376.08400

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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