Basic information
- CAS
58520-98-2- Standard SMILES
CC(C)[N+](C)(C)CC(O)COc1ccccc1-c1ccccc1.[Cl-]- InChIKey
JIFGWFKXUFWHTI-UHFFFAOYSA-M- Molecular formula
- C20H28ClNO2
- Average molar mass
- 349.9 g/mol
- Monoisotopic mass
- 349.1808568
Overview
structure
Names & identifiers
- Preferred name
- UM-424
- IUPAC
- [2-hydroxy-3-(2-phenylphenoxy)propyl]-dimethyl-propan-2-ylazanium chloride
- English name
- UM-424
- Molecular formula
- C20H28ClNO2
- Molecular weight
- 349.9
Names & synonyms
UM-42458520-98-2UM 4243-((1,1'-Biphenyl)-2-yloxy)-2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-1-propanaminium, chlorideRefChem:1930271-Dimethylisopropylamino-3-(2-phenylphenoxy)propan-2-ol chloride[2-hydroxy-3-(2-phenylphenoxy)propyl]-dimethyl-propan-2-ylazanium;chlorideSCHEMBL11490534JIFGWFKXUFWHTI-UHFFFAOYSA-MNSC304956NSC 304956NSC-304956
Show more names
[2-hydroxy-3-(2-phenylphenoxy)propyl]-dimethyl-propan-2-ylazanium
[3-(2-phenylphenoxy)-2-hydroxypropyl]isopropyldimethylammonium chloride
Database identifiers
- CAS
58520-98-2- PubChem CID
- 194064
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 337
Chemistry & industry
Applications
DescriptionUM-424 is a quarternary ammonium compound that has antiarrhythmic and hemodynamic effects.
Related reactions
1 records
Compound notes
Loading…