fasudil hydrochloride (CHEBI:31593)

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ChEBI Name	fasudil hydrochloride

ChEBI ID	CHEBI:31593

Definition	A hydrochloride obtained by reaction of fasudil with one equivalent of hydrochloric acid.

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

Supplier Information

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Formulae

C14H17N3O2S.ClH
C14H17N3O2S.HCl
C14H18ClN3O2S

Net Charge

Average Mass

327.830

Monoisotopic Mass

327.08083

InChI

InChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;/h1,3-5,7,11,15H,2,6,8-10H2;1H

InChIKey

LFVPBERIVUNMGV-UHFFFAOYSA-N

SMILES

Cl.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 (CHEBI:31593) has part fasudil(1+) (CHEBI:180694) fasudil hydrochloride (CHEBI:31593) has role antihypertensive agent (CHEBI:35674) fasudil hydrochloride (CHEBI:31593) has role calcium channel blocker (CHEBI:38215) fasudil hydrochloride (CHEBI:31593) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925) fasudil hydrochloride (CHEBI:31593) has role neuroprotective agent (CHEBI:63726) fasudil hydrochloride (CHEBI:31593) has role nootropic agent (CHEBI:66980) fasudil hydrochloride (CHEBI:31593) has role vasodilator agent (CHEBI:35620) fasudil hydrochloride (CHEBI:31593) is a hydrochloride (CHEBI:36807)

Incoming	fasudil hydrochloride hydrate (CHEBI:180695) has part fasudil hydrochloride (CHEBI:31593)

IUPAC Name

5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride

Synonyms	Sources
1-(5-isoquinolinesulfonyl)homopiperazine hydrochloride	ChEBI
4-(isoquinolin-5-ylsulfonyl)-1,4-diazepan-1-ium chloride	IUPAC
AT 877 hydrochloride	ChemIDplus
fasudil HCl	DrugBank
HA 1077 hydrochloride	ChemIDplus
hexahydro-1-(5-isoquinolinylsulfonyl)-1H-1,4-diazepine monohydrochloride	ChemIDplus

Registry Number	Type	Source
105628-07-7	CAS Registry Number	ChemIDplus

Last Modified

08 October 2021