Molecular Identity
Hexamethylene amiloride
3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
PubChem CID: 1794
5-(N,N-hexamethylene)amiloride is 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. It has a role as an antineoplastic agent, a sodium channel blocker, an apoptosis inducer and an odorant receptor antagonist. It is a member of guanidines, a monocarboxylic acid amide, an aromatic amine, an organochlorine compound, a member of pyrazines and a member of azepanes. It is functionally related to an amiloride.
2D Structure
Properties
C12H18ClN7O
Molecular Formula
311.77
Molecular Weight
g/mol
311.1261
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
137
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
393
Complexity
SMILES
Canonical SMILES
SMILES: C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)NIsomeric SMILES
SMILES: C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)NSynonyms(20)
5-(N,N-Hexamethylene)amiloride1428-95-1HexamethyleneamilorideHexamethylene amilorideHMA-5CHEBI:76400DTXSID101621883-Amino-6-chloro-5-(1-homopiperidyl)-N-(diaminomethylene)pyrazinecarboxamide5-HMARefChem:531434DTXCID7084679634-319-75-(N,N-hexamethylene)-Amiloride3-amino-5-(azepan-1-yl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamideN,N-HEXAMETHYLENEAMILORIDE
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Hexamethylene amiloride
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