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Structure

1,3-Dipropyl-8-p-sulfophenylxanthine

CAS
89073-57-4
Catalog Number
ACM89073574
Category
Other Products
Molecular Weight
392.43
Molecular Formula
C17H20N4O5S

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Specification

Synonyms
Benzenesulfonic acid,4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl); PSPX; DPSPX; 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid; 1,3-Dspx; 4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)-benzenesu
IUPAC Name
4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid
Canonical SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O
InChI Key
IWALGNIFYOBRKC-UHFFFAOYSA-N
Melting Point
>300ºC
Density
1.405g/cm³
Exact Mass
392.11500
H-Bond Acceptor
6
H-Bond Donor
2
Safety Description
S22-S24/25
Stability
Store tightly sealed at RT; Solutions stable at 4ºC for several days
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