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

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ChEBI Name	5-(N,N-hexamethylene)amiloride

ChEBI ID	CHEBI:76400

ChEBI ASCII Name	5-(N,N-hexamethylene)amiloride

Definition	A 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.

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

Submitter	Sandra Orchard

Supplier Information

Download	Molfile XML SDF

Formula

C12H18ClN7O

Net Charge

Average Mass

311.77100

Monoisotopic Mass

311.12614

InChI

InChI=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)

InChIKey

RQQJJXVETXFINY-UHFFFAOYSA-N

SMILES

NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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	Sources
3-Amino-6-chloro-5-(1-homopiperidyl)-N-(diaminomethylene)pyrazinecarboxamide	ChemIDplus
Hexamethylene amiloride	ChemIDplus
Hexamethyleneamiloride	ChemIDplus
HMA	SUBMITTER
HMA-5	ChemIDplus

Last Modified

25 February 2016