1,1'-Diheptyl-4,4'-bipyridinium

HCID 80263

Basic information

CAS
47503-76-4
Standard SMILES
CCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCC)cc2)cc1
InChIKey
XJGZGUSMZSXHJI-UHFFFAOYSA-N
Molecular formula
C24H38N2+2
Average molar mass
354.6 g/mol
Monoisotopic mass
354.30240206

Overview

a ryanodine receptor antagonist

Names & identifiers

Preferred name
1,1'-Diheptyl-4,4'-bipyridinium
IUPAC
1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium

Names & synonyms

1,1'-diheptyl-4,4'-bipyridinium47503-76-4DTXSID50275781RefChem:70786DTXCID702271611-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-iumNCGC00024817-01Tocris-0839SCHEMBL1305855CHEMBL1314130XJGZGUSMZSXHJI-UHFFFAOYSA-BBL004171
Show more names
STK396656AKOS0015866971,1'-Diheptyl-4,4'-bipyridin-1-iumNCGC00024817-02ST0958551-heptyl-4-(1-heptyl(4-pyridyl))pyridineBRD-K41262162-303-02-21-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium dibromide

Database identifiers

CAS
47503-76-4
PubChem CID
80263
DTXSID
DTXSID50275781
ChEMBL
CHEMBL1314130
Nikkaji
J215.841H

Properties

Computed structural properties

XLogP
7.3
Topological polar surface area
7.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
13
Heavy atoms
26

Related reactions

3 records

Compound notes

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