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CHEBI:180695 - fasudil hydrochloride hydrate
| Formula | 2C14H17N3O2S.H2O.2HCl |
| Net Charge | 0 |
| Average Mass | 673.689 |
| Monoisotopic Mass | 672.17222 |
| SMILES | Cl.Cl.O.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 |
| InChI | InChI=1S/2C14H17N3O2S.2ClH.H2O/c2*18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;;;/h2*1,3-5,7,11,15H,2,6,8-10H2;2*1H;1H2 |
| InChIKey | AACOJGPCMIDLEY-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine. calcium channel blocker One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools. |
| Applications: | antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. vasodilator agent A drug used to cause dilation of the blood vessels. nootropic agent Any compound that improves mental functions such as cognition, memory, intelligence, motivation, attention, and concentration. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| fasudil hydrochloride hydrate (CHEBI:180695) has part fasudil hydrochloride (CHEBI:31593) |
| fasudil hydrochloride hydrate (CHEBI:180695) has role antihypertensive agent (CHEBI:35674) |
| fasudil hydrochloride hydrate (CHEBI:180695) has role calcium channel blocker (CHEBI:38215) |
| fasudil hydrochloride hydrate (CHEBI:180695) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925) |
| fasudil hydrochloride hydrate (CHEBI:180695) has role neuroprotective agent (CHEBI:63726) |
| fasudil hydrochloride hydrate (CHEBI:180695) has role nootropic agent (CHEBI:66980) |
| fasudil hydrochloride hydrate (CHEBI:180695) has role vasodilator agent (CHEBI:35620) |
| fasudil hydrochloride hydrate (CHEBI:180695) is a hydrate (CHEBI:35505) |
| IUPAC Name |
|---|
| 5-(1,4-diazepane-1-sulfonyl)isoquinoline—hydrogen chloride—water (2/2/1) |
| Synonyms | Source |
|---|---|
| fasudil hydrochloride hemihydrate | ChemIDplus |
| fasudil HCl semihydrate | DrugCentral |
| 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride hydrate (2:2:1) | IUPAC |
| 5-(hexahydro-1H-1,4-diazepine-1-ylsulfonyl)isoquinoline hydrochloride hemihydrate | ChemIDplus |
| fasudil HCl hemihydrate | ChEBI |
| Brand Name | Source |
|---|---|
| Eril | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| CAS:186694-02-0 | ChemIDplus |
| Citations |
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