Compound Summary
Compound Information
Methylbenzethonium chloride
Compound Name: | Methylbenzethonium chloride |
Compound CID: | 5702238 |
Synonyms: | Methylbenzethonium chloride 25155-18-4 Methyl benzethonium chloride UNII-NN7590IUQX METHYLBENZETHONIUMCHLORIDE More... |
Iupac Name: | benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride |
InChI: | InChI=1S/C28H44NO2.ClH/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24;/h9-15,20H,16-19,21-22H2,1-8H3;1H/q+1;/p-1 |
InChIKey: | QWZLBLDNRUUYQI-UHFFFAOYSA-M |
Canonical Smiles: | CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] |
Isomeric Smiles: | CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] |
Molecular Weight: | 462.1 |
Molecular Formula: | C28H44ClNO2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Methylbenzethonium chloride
Molecular Weight: | 462.1 |
Molecular Formula: | C28H44ClNO2 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 12 |
Heavy Atom Count: | 32 |
Complexity: | 502 |
Synonyms
Methylbenzethonium chloride
| Methylbenzethonium chloride | Methylbenzethonium chloride |
|---|---|
Methylbenzethonium chloride |
25155-18-4 |
Methyl benzethonium chloride |
UNII-NN7590IUQX |
METHYLBENZETHONIUMCHLORIDE |
benzyl-dimethyl-2-2-2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxyethoxyethylazanium;chloride |
101912-16-7 |
NN7590IUQX |
MFCD00011821 |
Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-o-tolyl)oxy)ethoxy)ethyl)ammonium chloride |
N-Benzyl-N,N-dimethyl-2-2-2-methyl-4-(2,4,4-trimethyl-2-pentyl)phenoxyethoxyethanaminium Chloride |
MLS002153966 |
Benzenemethanaminium, N,N-dimethyl-N-2-2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxyethoxyethyl-, chloride (1:1) |
Quat20 |
Quat 20 |
SR-05000002081 |
SMR001233305 |
C28H44ClNO2 |
Prestwick_9 |
SCHEMBL136062 |
SPECTRUM1503253 |
CHEMBL1321398 |
METHYLBENZTHONIUM CHLORIDE |
HMS502B21 |
CHEBI:183404 |
HMS1570M11 |
HMS1922M21 |
HMS2093A07 |
HMS2097M11 |
HMS2235G10 |
HMS3371P01 |
HMS3714M11 |
Pharmakon1600-01503253 |
AC9659 |
CCG-39322 |
NSC758427 |
AKOS015961180 |
NSC-758427 |
NCGC00095032-01 |
NCGC00095032-02 |
NCGC00095032-03 |
NCGC00095032-04 |
NCGC00164393-01 |
AC-13152 |
AS-15749 |
Q567 |
SY264361 |
FT-0628864 |
J-015841 |
SR-05000002081-1 |
SR-05000002081-3 |
Q27284969 |
UNII-4XKK0M5H9M component QWZLBLDNRUUYQI-UHFFFAOYSA-M |
Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride |
N-Benzyl-N,N-dimethyl-2-(2-(2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium chloride |
Experimental Data
Methylbenzethonium chloride
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 10 | umol/L | 17.95 | 16.92 | -5.765 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100 | umol/L | 17.14 | 15.81 | -7.735 | NS | N2 | 33008901 | Inactive |
Experimental Data Visualization
Methylbenzethonium chloride
Statistics Data
Methylbenzethonium chloride
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -5.765 | 1 | 2 |
Statistics Data Visualization
Methylbenzethonium chloride
