8-(p-Sulfophenyl)theophylline hydrate
4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid;hydrate
Molecular Identity
8-(p-Sulfophenyl)theophylline hydrate
4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid;hydrate
PubChem CID: 18528136
2D Structure
Properties
C13H14N4O6S
Molecular Formula
354.34
Molecular Weight
g/mol
354.0634
Exact Mass
Da
133
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
610
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(14)
8-(p-Sulfophenyl)theophylline hydrate4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid;hydrateMLS000859938CHEMBL1697922C13H14N4O6SHMS2230M12HMS3373H03AKOS024360233SMR000326799SPT8-(p-Sulfophenyl)theophylline hydrate, solidST509900654-(1,3-dimethyl-2,6-dioxo-1,3-dihydropurin-8-yl)benzenesulfonic acid, hydrate4-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid hemihydrate
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to 8-(p-Sulfophenyl)theophylline hydrate
Loading drug network...