Compound Summary
Compound Information
benzethonium
Compound Name: | benzethonium |
Compound CID: | 2335 |
Synonyms: | benzethonium Sanizol UNII-1VU15B70BP Phemerol 10172-60-8 More... |
Iupac Name: | benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium |
InChI: | InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1 |
InChIKey: | SIYLLGKDQZGJHK-UHFFFAOYSA-N |
Canonical Smiles: | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2 |
Isomeric Smiles: | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2 |
Molecular Weight: | 412.6 |
Molecular Formula: | C27H42NO2+ |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
benzethonium
Molecular Weight: | 412.6 |
Molecular Formula: | C27H42NO2+ |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 12 |
Heavy Atom Count: | 30 |
Complexity: | 466 |
Synonyms
benzethonium
| benzethonium | benzethonium |
|---|---|
benzethonium |
Sanizol |
UNII-1VU15B70BP |
Phemerol |
10172-60-8 |
1VU15B70BP |
benzyl-dimethyl-2-2-4-(2,4,4-trimethylpentan-2-yl)phenoxyethoxyethylazanium |
498-77-1 |
CHEMBL221753 |
benzyl-dimethyl-2-2-4-(1,1,3,3-tetramethylbutyl)phenoxyethoxyethylammonium |
NSC20200 |
Benzethonium (parent) |
NCGC00016373-03 |
CAS-121-54-0 |
BztCl |
N-benzyl-N,N-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium |
N-benzyl-N,N-dimethyl-2-{2-4-(2,4,4-trimethylpentan-2-yl)phenoxyethoxy}ethanaminium |
Spectrum_000072 |
benzethonium hydrochloride |
Prestwick0_000708 |
Prestwick1_000708 |
Prestwick2_000708 |
Prestwick3_000708 |
Spectrum2_000134 |
Spectrum3_000313 |
Spectrum4_000248 |
Spectrum5_000858 |
cid_8478 |
BSPBio_000895 |
BSPBio_001906 |
KBioGR_000656 |
KBioSS_000472 |
DivK1c_000775 |
SCHEMBL122985 |
SPBio_000208 |
SPBio_002816 |
BPBio1_000985 |
CHEMBL1182210 |
DTXSID5046984 |
CHEBI:94725 |
KBio1_000775 |
KBio2_000472 |
KBio2_003040 |
KBio2_005608 |
KBio3_001406 |
NINDS_000775 |
ZINC1571009 |
BDBM50203812 |
STL256857 |
AKOS022098568 |
DB11125 |
MCULE-7555832890 |
Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)- |
Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium |
IDI1_000775 |
QTL1_000012 |
NCGC00016373-01 |
NCGC00016373-02 |
NCGC00016373-04 |
NCGC00016373-05 |
NCGC00016373-07 |
NCGC00016373-09 |
Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) |
NCI60_001693 |
SBI-0051292.P003 |
AB00053793 |
Benzethonium hydroxide solution 1M in methanol |
A19421 |
AB00053793_12 |
AB00053793_13 |
BRD-K72723676-003-10-3 |
Q27166518 |
2-(2-(4-diisobutylphenoxy)ethoxy)ethyl)dimethylbenzylammoniumchloride |
dimethyl-(phenylmethyl)-2-2-4-(2,4,4-trimethylpentan-2-yl)phenoxyethoxyethylammonium |
Experimental Data
benzethonium
| 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 | 20 | umol/L | 45.44 | 45.46 | 0.03648 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200 | umol/L | 44.8 | 44.28 | -1.172 | NS | MALES | 33008901 | Inactive |
Experimental Data Visualization
benzethonium
Statistics Data
benzethonium
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | 0.03648 | 1 | 2 |
Statistics Data Visualization
benzethonium
