CAS
149978-57-4 Purity
96%
149978-57-4 Purity
96%
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Benzenesulfonic acid,4-[2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1-(2-propen-1-yl)-1H-purin-8-yl]-
CAS
149981-25-9
Catalog Number
ACM149981259
Category
Other Products
Molecular Weight
398.37
Molecular Formula
C16H16N4O5S
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Specification
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
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
6
H-Bond Donor
1
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