Quinuronium methylsulfate
Basic information
- CAS
135-14-8- Standard SMILES
COS(=O)(=O)[O-].COS(=O)(=O)[O-].C[n+]1cccc2cc(NC(=O)Nc3ccc4c(ccc[n+]4C)c3)ccc21- InChIKey
BOMUADPKDXMXIH-UHFFFAOYSA-M- Molecular formula
- C23H26N4O9S2
- Average molar mass
- 566.6 g/mol
- Monoisotopic mass
- 566.11412077
Overview
structure
Names & identifiers
- Preferred name
- Quinuronium methylsulfate
- IUPAC
- 1,3-bis(1-methylquinolin-1-ium-6-yl)urea;methyl sulfate
- English name
- 1,1'-dimethyl-6,6'-ureylenediquinolinium dimethyl bis(sulphate)
- Molecular formula
- C21H22N4O9S2
- Molecular weight
- 538.55078
Names & synonyms
QUINURONIUM SULFATEPyroplasminZotheloneAcaprinBaburanPirevanAtralquinuronium methylsulfateDE4G9V3O4AACAPRONPIROZOO6,6'-Ureylenebis(1-methylquinolinium)bis(methosulfate)
Show more names
QuinuronumQUINOLYLUREAQUINURONIUMSULPHATE1,3-Di-6-quinolylurea bismethosulfate1,3-bis(1-methylquinolin-1-ium-6-yl)urea6,6'-Ureylenebis[1,1'-dimethylquinolinium] sulfate
DTXSID001033866SN-58706,6'-ureylenebis(1-methylquinolinium methyl) sulfateRefChem:178375DTXCID801518632205-179-0135-14-8Quinuroium methylsulfate
Database identifiers
- CAS
135-14-8- PubChem CID
- 8661
- DTXSID
DTXSID001033866- UNII
- DE4G9V3O4A
- EC Number
- 205-179-0
Properties
Computed structural properties
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 547
Physicochemical properties
- FDA UNII
- 4 G9V3O4A · DE4G9V3O4A
- EPA Substance Registry System
- Quinuroium methylsulfate (135-14-8)
Chemistry & industry
Applications
UsesQuinuronium disulfate, a babesicidal agent, possesses anticholinesterase activity[1].
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Related reactions
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Compound notes
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