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

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ChEBI Name 1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride
ChEBI ID CHEBI:82739
Definition A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sandra Orchard
Supplier Information
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Formula C14H19Cl2N3O2S
Net Charge 0
Average Mass 364.29100
Monoisotopic Mass 363.05750
InChI InChI=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
InChIKey OARGPFMFRLLKPF-UHFFFAOYSA-N
SMILES Cl.Cl.CC1CNCCN1S(=O)(=O)c1cccc2cnccc12
Roles Classification
Biological Role(s): 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).
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ChEBI Ontology
Outgoing 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 Sources
1-(5-isoquinolinesulfonyl)-2-methylpiperazine hydrochloride ChEBI
H-7 dihydrochloride ChEBI
Registry Numbers Types Sources
108930-17-2 CAS Registry Number ChemIDplus
5840763 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1898396 PubMed citation Europe PMC
6238627 PubMed citation SUBMITTER
Last Modified
28 October 2014