Compound Summary
Clofilium tosylate
Compound Information
Clofilium tosylate
Compound Name: | Clofilium tosylate |
Compound CID: | 175533 |
Synonyms: | Clofilium tosylate 92953-10-1 N-(4-(4-Chlorophenyl)butyl)-N,N-diethylheptan-1-aminium 4-methylbenzenesulfonate UNII-13ZVF1051K 13ZVF1051K More... |
Iupac Name: | 4-(4-chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonate |
InChI: | InChI=1S/C21H37ClN.C7H8O3S/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h14-17H,4-13,18-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
InChIKey: | MOQZYUUHIWPDQC-UHFFFAOYSA-M |
Canonical Smiles: | CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Isomeric Smiles: | CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Molecular Weight: | 510.2 |
Molecular Formula: | C28H44ClNO3S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Clofilium tosylate
Molecular Weight: | 510.2 |
Molecular Formula: | C28H44ClNO3S |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 13 |
Heavy Atom Count: | 34 |
Complexity: | 460 |
Synonyms
Clofilium tosylate
| Clofilium tosylate | Clofilium tosylate |
|---|---|
Clofilium tosylate |
92953-10-1 |
N-(4-(4-Chlorophenyl)butyl)-N,N-diethylheptan-1-aminium 4-methylbenzenesulfonate |
UNII-13ZVF1051K |
13ZVF1051K |
MFCD00069233 |
NCGC00017142-01 |
CAS-92953-10-1 |
DSSTox_CID_25601 |
DSSTox_RID_80994 |
DSSTox_GSID_45601 |
MLS002154263 |
4-Chloro-N,N-Diethyl-N-Heptyl-Benzenebutanaminiusaltwith4-Methylbenzenes |
GNF-Pf-3889 |
SMR001233522 |
Prestwick_682 |
4-(4-chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonate |
4-Chloro-N,N-diethyl-N-heptylbenzenebutanaminium tosylate |
ACMC-20ei9v |
Benzenebutanaminium, 4-chloro-N,N-diethyl-N-heptyl-, salt with 4-methylbenzenesulfonicacid (1:1) |
SCHEMBL467251 |
CHEMBL598270 |
DTXSID7045601 |
Clofilium tosylate, >97%, solid |
HMS1568P20 |
HMS2095P20 |
HMS2234L09 |
HMS3374A08 |
HMS3712P20 |
BCP08356 |
CS-D0394 |
Tox21_110799 |
AKOS024257841 |
Tox21_110799_1 |
CCG-220319 |
NCGC00168464-04 |
AS-30960 |
HY-33350 |
FT-0747981 |
SR-01000838821 |
A1-01947 |
SR-01000838821-2 |
Q27251555 |
Experimental Data
Clofilium tosylate
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 10.000000000000000 | umol/L | 15.130000000000000 | 15.150000000000000 | 0.141800000000000 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200.000000000000000 | umol/L | 44.800000000000000 | 44.320000000000000 | -1.064000000000000 | NS | MALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20.000000000000000 | umol/L | 45.440000000000000 | 45.050000000000000 | -0.869200000000000 | NS | FEMALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 17.080000000000000 | 15.770000000000000 | -7.660000000000000 | NS | N2 | 33008901 | Inactive |
Experimental Data Visualization
Clofilium tosylate
Statistics Data
Clofilium tosylate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0.141800000000000 | 1 | 2 | |
| Drosophila melanogaster | -0.869200000000000 | 1 | 2 |
Statistics Data Visualization
Clofilium tosylate
