Basic information
- CAS
552-92-1- Standard SMILES
CCCCCCCCCCCC(c1ccc(C)cc1)[N+](C)(C)C.COS(=O)(=O)[O-]- InChIKey
RCIULPORFWIVEE-UHFFFAOYSA-M- Molecular formula
- C23H43NO4S
- Average molar mass
- 429.7 g/mol
- Monoisotopic mass
- 429.29128003
Names & identifiers
- Preferred name
- Toloconium methylsulfate
- IUPAC
- methyl sulfate;trimethyl-[1-(4-methylphenyl)dodecyl]azanium
- English name
- toloconium metilsulfate
- Molecular formula
- C22H40N.CH3O4S
- Molecular weight
- 429.662
Names & synonyms
Toloconium methylsulfateTrimethyl(1-p-tolyldodecyl)ammonium methyl sulfateRefChem:933173Toloconium metilsulfateMetilsulfate de toloconium552-92-1Metilsulfato de toloconioToloconium metilsulfate [INN]Toloconium metilsulphateERT0485MCDTrimethyl(1-p-tolyldodecyl)ammonium methylsulfateToloconii metilsulfas
Show more names
TolociniumToloconiumtrimethyl-[1-(p-tolyl)dodecyl]ammoniumtrimethyl-[1-(4-methylphenyl)dodecyl]azanium
UNII-ERT0485MCDToloconii metilsulfas [INN-Latin]EINECS 209-026-9Metilsulfate de toloconium [INN-French]Metilsulfato de toloconio [INN-Spanish]SCHEMBL2733948CHEMBL2107671DTXSID70970529
Database identifiers
- CAS
552-92-1- PubChem CID
- 71503
- DTXSID
DTXSID70970529- ChEMBL
CHEMBL2107671- UNII
- ERT0485MCD
- EC Number
- 209-026-9
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- FDA UNII
- 485 MCD · ERT0485MCD
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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