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8(4-Sulfophenyl)Theophylline
[CAS# 80206-91-3]

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Identification
Name 8(4-Sulfophenyl)Theophylline
Synonyms 4-(2,6-Diketo-1,3-Dimethyl-7H-Purin-8-Yl)Benzenesulfonic Acid; Lopac-A-013; Ncgc00015000-01
Molecular Structure CAS#: 80206-91-3, 8(4-Sulfophenyl)Theophylline
Molecular Formula C13H12N4O5S
Molecular Weight 336.32
CAS Registry Number 80206-91-3
SMILES C1=CC(=CC=C1C2=NC3=C([NH]2)C(N(C)C(N3C)=O)=O)[S](O)(=O)=O
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)
InChIKey LXJSJIXZOAMHTG-UHFFFAOYSA-N
Properties
Density 1.594g/cm3 (Cal.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for 8(4-Sulfophenyl)Theophylline
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