CAS No 80206-91-3 , 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid

Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid
Synonyms: Psp-theophylline; ALBB-009371;8-(p-Sulfophenyl)theophylline;4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid; 8-(4-Sulfophenyl)theophylline; 8-(p-Sulfophenyl)theophylline hydrate; 8-SPT; 8-Pspt;
CAS Registry Number:80206-91-3
Density: 1.594g/cm³
Refractive index: 1.661
Safety Statements: 26
Hazard Symbols: Xi
Molecular Weight: 336.32318
InchiKey: LXJSJIXZOAMHTG-UHFFFAOYSA-N
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)
Risk Statements: 36/37/38
Molecular Formula: C₁₃H₁₂N₄O₅S
Molecular Structure:

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