8-(p-Sulfophenyl)theophylline
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8-(p-Sulfophenyl)theophylline
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CAS No:
80206-91-3
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Formula:
C13H12N4O5S
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Chemical Name:
8-(p-Sulfophenyl)theophylline
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Synonyms:
Benzenesulfonic acid,4-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)-;4-(2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid;8-(p-Sulfophenyl)theophylline;8-(4-Sulfophenyl)theophylline;1,3-Dimethyl-8-(p-sulfophenyl)xanthine
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CAS No:
Drug Information
Compounds that bind to and block the stimulation of PURINERGIC P1 RECEPTORS. (See all compounds classified as Purinergic P1 Receptor Antagonists.)
8-(4-sulfophenyl)theophylline
Computed Properties
Molecular Weight:336.33
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:336.05284067
Monoisotopic Mass:336.05284067
Topological Polar Surface Area:132
Heavy Atom Count:23
Complexity:610
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes