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CHEBI:82739 - 1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride

ChEBI IDCHEBI:82739
ChEBI Name1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride
Stars
DefinitionA hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride.
Last Modified28 October 2014
SubmitterSandra Orchard
DownloadsMolfile
FormulaC14H17N3O2S.2HCl
Net Charge0
Average Mass364.298
Monoisotopic Mass363.05750
SMILESCC1CNCCN1S(=O)(=O)c1cccc2cnccc12.Cl.Cl
InChIInChI=1S/C14H17N3O2S.2ClH/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14;;/h2-6,10-11,16H,7-9H2,1H3;2*1H
InChIKeyOARGPFMFRLLKPF-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.11.13 (protein kinase C) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13).
ChEBI Ontology
Outgoing Relation(s)
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride (CHEBI:82739) has part 1-(5-isoquinolinesulfonyl)-2-methylpiperazine(2+) (CHEBI:83442)
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride (CHEBI:82739) has role EC 2.7.11.13 (protein kinase C) inhibitor (CHEBI:37700)
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride (CHEBI:82739) is a hydrochloride (CHEBI:36807)
IUPAC Names 
5-[(2-methylpiperazin-1-yl)sulfonyl]isoquinoline dihydrochloride
5-[(2-methylpiperazin-4-ium-1-yl)sulfonyl]isoquinolinium dichloride
Synonyms  Source
1-(5-isoquinolinesulfonyl)-2-methylpiperazine hydrochlorideChEBI
H-7 dihydrochlorideChEBI
Registry NumbersSources
Reaxys:5840763Reaxys
CAS:108930-17-2ChemIDplus
Citations