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

Default Structure
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.
odorant receptor antagonist  An antagonist at the odorant receptor.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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