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CHEBI:59847 - (S)-dyphylline
| Formula | C10H14N4O4 |
| Net Charge | 0 |
| Average Mass | 254.246 |
| Monoisotopic Mass | 254.10150 |
| SMILES | Cn1c(=O)c2c(ncn2C[C@H](O)CO)n(C)c1=O |
| InChI | InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3/t6-/m0/s1 |
| InChIKey | KSCFJBIXMNOVSH-LURJTMIESA-N |
| Roles Classification |
|---|
| Biological Role: | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*). |
| Applications: | vasodilator agent A drug used to cause dilation of the blood vessels. muscle relaxant A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis. bronchodilator agent An agent that causes an increase in the expansion of a bronchus or bronchial tubes. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-dyphylline (CHEBI:59847) is a dyphylline (CHEBI:4728) |
| (S)-dyphylline (CHEBI:59847) is enantiomer of (R)-dyphylline (CHEBI:59846) |
| Incoming Relation(s) |
| (R)-dyphylline (CHEBI:59846) is enantiomer of (S)-dyphylline (CHEBI:59847) |
| IUPAC Name |
|---|
| 7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Synonyms | Source |
|---|---|
| 7-[(2S)-2,3-dihydroxypropyl]theophylline | ChEBI |
| 7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethylxanthine | ChEBI |
| 1,3-dimethyl-7-[(2S)-2,3-dihydroxypropyl]xanthine | ChEBI |
| 7-[(2S)-2,3-dihydroxypropyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione | ChEBI |
| [(2S)-1,2-dihydroxy-3-propyl]thiophyllin | ChEBI |
| (S)-diprophylline | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1222226 | Reaxys |