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
- Formal charge
- 2
- Complexity
- 282
Related reactions
3 records
Compound notes
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