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CHEBI:76400 - 5-(N,N-hexamethylene)amiloride

ChEBI IDCHEBI:76400
ChEBI Name5-(N,N-hexamethylene)amiloride
Stars
ASCII Name5-(N,N-hexamethylene)amiloride
DefinitionA member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring.
Last Modified25 February 2016
SubmitterSandra Orchard
DownloadsMolfile
FormulaC12H18ClN7O
Net Charge0
Average Mass311.777
Monoisotopic Mass311.12614
SMILESN=C(N)NC(=O)c1nc(Cl)c(N2CCCCCC2)nc1N
InChIInChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
InChIKeyRQQJJXVETXFINY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
sodium channel blocker  An agent that inhibits sodium influx through cell membranes.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
odorant receptor antagonist  An antagonist at the odorant receptor.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
5-(N,N-hexamethylene)amiloride (CHEBI:76400) has functional parent amiloride (CHEBI:2639)
5-(N,N-hexamethylene)amiloride (CHEBI:76400) has role antineoplastic agent (CHEBI:35610)
5-(N,N-hexamethylene)amiloride (CHEBI:76400) has role apoptosis inducer (CHEBI:68495)
5-(N,N-hexamethylene)amiloride (CHEBI:76400) has role odorant receptor antagonist (CHEBI:76531)
5-(N,N-hexamethylene)amiloride (CHEBI:76400) has role sodium channel blocker (CHEBI:38633)
5-(N,N-hexamethylene)amiloride (CHEBI:76400) is a aromatic amine (CHEBI:33860)
5-(N,N-hexamethylene)amiloride (CHEBI:76400) is a azepanes (CHEBI:46986)
5-(N,N-hexamethylene)amiloride (CHEBI:76400) is a guanidines (CHEBI:24436)
5-(N,N-hexamethylene)amiloride (CHEBI:76400) is a monocarboxylic acid amide (CHEBI:29347)
5-(N,N-hexamethylene)amiloride (CHEBI:76400) is a organochlorine compound (CHEBI:36683)
5-(N,N-hexamethylene)amiloride (CHEBI:76400) is a pyrazines (CHEBI:38314)
IUPAC Name 
3-amino-5-(azepan-1-yl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide
Synonyms  Source
3-Amino-6-chloro-5-(1-homopiperidyl)-N-(diaminomethylene)pyrazinecarboxamideChemIDplus
Hexamethylene amilorideChemIDplus
HexamethyleneamilorideChemIDplus
HMASUBMITTER
HMA-5ChemIDplus
Manual XrefsDatabases
LSM-2912LINCS
Registry NumbersSources
Reaxys:628353Reaxys
CAS:1428-95-1ChemIDplus
Citations