Compound Summary
Compound Information
UNII-NJX1653L36
Compound Name: | UNII-NJX1653L36 |
Compound CID: | 4135 |
Synonyms: | UNII-NJX1653L36 NJX1653L36 Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-o-tolyl)oxy)ethoxy)ethyl)ammonium 72013-76-4 Methyl benzethonium chloride More... |
Iupac Name: | benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium |
InChI: | InChI=1S/C28H44NO2/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/q+1 |
InChIKey: | UQOOPIMXBSPVJI-UHFFFAOYSA-N |
Canonical Smiles: | CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2 |
Isomeric Smiles: | CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2 |
Molecular Weight: | 426.7 |
Molecular Formula: | C28H44NO2+ |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
UNII-NJX1653L36
Molecular Weight: | 426.7 |
Molecular Formula: | C28H44NO2+ |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 12 |
Heavy Atom Count: | 31 |
Complexity: | 502 |
Synonyms
UNII-NJX1653L36
| UNII-NJX1653L36 | UNII-NJX1653L36 |
|---|---|
UNII-NJX1653L36 |
NJX1653L36 |
Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-o-tolyl)oxy)ethoxy)ethyl)ammonium |
72013-76-4 |
Methyl benzethonium chloride |
MLS002153966 |
Methylbenzethonium |
SMR001233305 |
KBio1_000679 |
Spectrum_001617 |
Prestwick0_000705 |
Prestwick1_000705 |
Prestwick2_000705 |
Prestwick3_000705 |
Spectrum2_001544 |
Spectrum3_001178 |
Spectrum4_000191 |
Spectrum5_001247 |
methylbenzethonium-chloride |
BSPBio_000889 |
BSPBio_002795 |
KBioGR_000761 |
KBioSS_002097 |
DivK1c_000679 |
SCHEMBL790480 |
SPBio_001388 |
SPBio_002810 |
BPBio1_000979 |
CHEMBL1314065 |
BDBM79207 |
CHEBI:94628 |
cid_5702238 |
KBio2_002097 |
KBio2_004665 |
KBio2_007233 |
KBio3_002295 |
DTXSID20865274 |
NINDS_000679 |
ZINC2167075 |
IDI1_000679 |
NCGC00016789-01 |
NCGC00016789-02 |
NCGC00164393-02 |
SBI-0051805.P002 |
AB00053820 |
AB00053820_10 |
BRD-K46531780-003-09-8 |
Q27166449 |
UNII-K5RRD5G47G component UQOOPIMXBSPVJI-UHFFFAOYSA-N |
Benzyldimethyl2-2-2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxyethoxyethylaminium |
benzyl-dimethyl-2-2-2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxyethoxyethylammonium;chloride |
dimethyl-2-2-2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxyethoxyethyl-(phenylmethyl)ammonium;chloride |
dimethyl-2-2-2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxyethoxyethyl-(phenylmethyl)azanium;chloride |
N,N-Dimethyl-N-2-2-2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxyethoxyethylbenzenemethanaminium |
Experimental Data
UNII-NJX1653L36
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 200 | umol/L | 45.82 | 45.89 | 0.1575 | NS | MALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 49.36 | 45.76 | -7.295 | NS | FEMALES | 33008901 | Inactive |
Experimental Data Visualization
UNII-NJX1653L36
Statistics Data
UNII-NJX1653L36
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | 0.1575 | 1 | 2 |
Statistics Data Visualization
UNII-NJX1653L36
