Hedaquinium Chloride
Basic information
- CAS
4310-89-8- Standard SMILES
[Cl-].[Cl-].c1ccc2c[n+](CCCCCCCCCCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1- InChIKey
KZUZUJNAVUAVOW-UHFFFAOYSA-L- Molecular formula
- C34H46Cl2N2
- Average molar mass
- 553.6 g/mol
- Monoisotopic mass
- 552.3038049
Names & identifiers
- Preferred name
- Hedaquinium Chloride
- IUPAC
- 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium dichloride
- English name
- hedaquinium chloride
- Molecular formula
- C34H46N2.2Cl
- Molecular weight
- 553.657
Names & synonyms
Hedaquinium chlorideTeoquil chlorideTeoquil4310-89-8Cloruro de hedaquinioChlorure d'hedaquiniumUSAF XR-39Hedaquinii chloridum2,2'-Hexadecamethylenebis(isoquinolinium chloride)BIQ 16Hedaquinium chloride [INN:BAN]Hedaquinii chloridum [INN-Latin]
Show more names
2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium dichloride
UNII-VKH4J07Q4KEINECS 224-325-4Chlorure d'hedaquinium [INN-French]Cloruro de hedaquinio [INN-Spanish]VKH4J07Q4KB1Q 16Hexadecane-1,16-bis-isoquinolinium chlorideB1Q-16
Database identifiers
- CAS
4310-89-8- PubChem CID
- 20304
- DTXSID
DTXSID20962898- ChEMBL
CHEMBL2106247- UNII
- VKH4J07Q4K
- EC Number
- 224-325-4
Properties
Computed structural properties
- Topological polar surface area
- 7.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 499
Physicochemical properties
- FDA UNII
- 4 J07Q4K · VKH4J07Q4K
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 10mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 10mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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