fasudil hydrochloride hydrate (CHEBI:180695)

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ChEBI Name	fasudil hydrochloride hydrate

ChEBI ID	CHEBI:180695

Definition	A hydrate that is the hemihydrate form of fasudil hydrochloride. It is a drug indicated for the prevention of cerebral vasospasm and ensuing cerebral ischemia following surgery for subarachnoid hemorrhage.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C14H17N3O2S.C14H17N3O2S.H2O.ClH.ClH

Net Charge

Average Mass

673.670

Monoisotopic Mass

672.17222

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

SMILES

O.Cl.Cl.O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2.O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2

Roles Classification
Biological Role(s):	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. 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.

Application(s):	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. nootropic agent Any compound that improves mental functions such as cognition, memory, intelligence, motivation, attention, and concentration. vasodilator agent A drug used to cause dilation of the blood vessels.

ChEBI Ontology
Outgoing	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	Sources
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
fasudil HCl semihydrate	DrugCentral
fasudil hydrochloride hemihydrate	ChemIDplus

Brand Name	Source
Eril	ChemIDplus

Registry Number	Type	Source
186694-02-0	CAS Registry Number	ChemIDplus

Last Modified

08 October 2021