Basic information
- CAS
13473-61-5- Standard SMILES
CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
HDAMOICMOAXFLJ-UHFFFAOYSA-N- Molecular formula
- C21H28NO3+
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.20691876
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Methylbenactyzium
- IUPAC
- diethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-methylazanium
- English name
- diethyllachesine
- Molecular weight
- 0
Names & synonyms
MethylbenactyziumDiethyllachesine13473-61-5Methylbenactyzium ionMethylbenactyzium cation38C3R34UK2DTXSID20158916Ethanaminium, N,N-diethyl-2-((hydroxydiphenylacetyl)oxy)-N-methyl-RefChem:158143DTXCID7081407(2-benziloyloxyethyl)diethylmethylammonium iodide2-diethylaminoethyldiphenylglycolate methylbromide
Show more names
Methylbenactyzine2-(Benziloyloxy)-N-methyl-N,N-diethylethanaminiumN,N-Diethyl-2-[(hydroxydiphenylacetyl)oxy]-N-methylethanaminium
diethyl((2-((2-hydroxy-2,2-diphenylacetyl)oxy)ethyl))methylazaniumN,N-diethyl-2-{[hydroxy(diphenyl)acetyl]oxy}-N-methylethanaminium iodideNCGC00181082-01UNII-38C3R34UK2N,N-Diethyl-2-[2-hydroxy(diphenyl)acetoxy]-N-methylethanaminium iodidemethylbenactyzium-bromideSCHEMBL669744CHEMBL1996652
Database identifiers
- CAS
13473-61-5- PubChem CID
- 4134
- DTXSID
DTXSID20158916- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 389
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 38 C3R34UK2 · 38C3R34UK2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…