Compound Summary
Benzalkonium
Compound Information
Benzalkonium
Compound Name: | Benzalkonium |
Compound CID: | 2330 |
Synonyms: | Benzalkonium Benzyldimethyltridecylammonium 47309-59-1 SPBio_001472 Spectrum_001442 More... |
Iupac Name: | benzyl-dimethyl-tridecylazanium |
InChI: | InChI=1S/C22H40N/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22/h14-16,18-19H,4-13,17,20-21H2,1-3H3/q+1 |
InChIKey: | VVZBFOKBSDGVGZ-UHFFFAOYSA-N |
Canonical Smiles: | CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 |
Isomeric Smiles: | CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 |
Molecular Weight: | 318.6 |
Molecular Formula: | C22H40N+ |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Benzalkonium
Molecular Weight: | 318.6 |
Molecular Formula: | C22H40N+ |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 0 |
Rotatable Bond Count: | 14 |
Heavy Atom Count: | 23 |
Complexity: | 253 |
Synonyms
Benzalkonium
| Benzalkonium | Benzalkonium |
|---|---|
Benzalkonium |
Benzyldimethyltridecylammonium |
47309-59-1 |
SPBio_001472 |
Spectrum_001442 |
Spectrum2_001566 |
Spectrum3_001597 |
Spectrum4_000861 |
Spectrum5_001097 |
Benzyldimethyltridecylaminium |
BSPBio_003194 |
KBioGR_001521 |
KBioSS_001922 |
DivK1c_000825 |
SCHEMBL7125738 |
CHEMBL1187417 |
KBio1_000825 |
KBio2_001922 |
KBio2_004490 |
KBio2_007058 |
KBio3_002694 |
NINDS_000825 |
ZINC8214735 |
IDI1_000825 |
QTL1_000011 |
N-Benzyl-N,N-dimethyltridecan-1-aminium |
NCGC00178214-01 |
NCGC00178214-02 |
NCGC00178214-04 |
SBI-0051833.P002 |
FT-0622628 |
AB00053823_02 |
Experimental Data
Benzalkonium
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 20.000000000000000 | umol/L | 45.440000000000000 | 48.210000000000000 | 6.104000000000000 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200.000000000000000 | umol/L | 44.800000000000000 | 43.590000000000000 | -2.694000000000000 | NS | MALES | 33008901 | Inactive |
Experimental Data Visualization
Benzalkonium
Statistics Data
Benzalkonium
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | 6.104000000000000 | 1 | 2 |
Statistics Data Visualization
Benzalkonium
