Disufen
Basic information
- CAS
5184-79-2- Standard SMILES
C[N+](C)(C)CCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCC[N+](C)(C)C)cc2)cc1.[I-].[I-]- InChIKey
VKPBGXGREFDOEN-UHFFFAOYSA-L- Molecular formula
- C22H36I2N4O4S2
- Average molar mass
- 738.5 g/mol
- Monoisotopic mass
- 738.02674
Names & identifiers
- Preferred name
- Disufen
- IUPAC
- trimethyl-[2-[[4-[4-[2-(trimethylazaniumyl)ethylsulfamoyl]phenyl]phenyl]sulfonylamino]ethyl]azanium diiodide
- English name
- Disufene
- Molecular formula
- C22H36N4O4S2.2I
- Molecular weight
- 738.482
Names & synonyms
DisufeneDisufen5184-79-2HB 72KHB 72XB-72AMMONIUM, (4,4'-BIPHENYLYLENEBIS(SULFONYLIMINOETHYLENE))BIS(TRIMETHYL-, DIIODIDE(4,4'-Biphenylylenebis(sulfonyliminoethylene))bis(trimethylammonium iodide)Ethanaminium, 2,2'-((1,1'-biphenyl)-4,4'-diylbis(sulfonylimino))bis(N,N,N-trimethyl-, diiodideRefChem:339188trimethyl-[2-[[4-[4-[2-(trimethylazaniumyl)ethylsulfamoyl]phenyl]phenyl]sulfonylamino]ethyl]azanium;diiodideSCHEMBL29800604
Show more names
HB72XB72XB 72HB-72trimethyl-[2-[[4-[4-[2-(trimethylammonio)ethylsulfamoyl]phenyl]phenyl]sulfonylamino]ethyl]ammonium diiodidetrimethyl-[2-[[4-[4-[2-(trimethylazaniumyl)ethylsulfamoyl]phenyl]phenyl]sulfonylamino]ethyl]azanium diiodide
DTXSID709661692,2'-[[1,1'-Biphenyl]-4,4'-diylbis(sulfonylazanediyl)]bis(N,N,N-trimethylethan-1-aminium) diiodide
Database identifiers
- CAS
5184-79-2- PubChem CID
- 21248
- DTXSID
DTXSID70966169
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 706
Physicochemical properties
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 738ug/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: 738ug/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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