Compound Summary
WB 4101 hydrochloride
Compound Information
WB 4101 hydrochloride
Compound Name: | WB 4101 hydrochloride |
Compound CID: | 11957505 |
Synonyms: | WB 4101 hydrochloride 2170-58-3 WB-4101 hydrochloride WB4101 hydrochloride N-((2,3-dihydrobenzob1,4dioxin-2-yl)methyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride More... |
Iupac Name: | N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine;hydrochloride |
InChI: | InChI=1S/C19H23NO5.ClH/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14;/h3-9,14,20H,10-13H2,1-2H3;1H |
InChIKey: | KAHMEWANVDFFCQ-UHFFFAOYSA-N |
Canonical Smiles: | COC1=C(C(=CC=C1)OC)OCCNCC2COC3=CC=CC=C3O2.Cl |
Isomeric Smiles: | COC1=C(C(=CC=C1)OC)OCCNCC2COC3=CC=CC=C3O2.Cl |
Molecular Weight: | 381.8 |
Molecular Formula: | C19H24ClNO5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
WB 4101 hydrochloride
Molecular Weight: | 381.8 |
Molecular Formula: | C19H24ClNO5 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 26 |
Complexity: | 371 |
Synonyms
WB 4101 hydrochloride
| WB 4101 hydrochloride | WB 4101 hydrochloride |
|---|---|
WB 4101 hydrochloride |
2170-58-3 |
WB-4101 hydrochloride |
WB4101 hydrochloride |
N-((2,3-dihydrobenzob1,4dioxin-2-yl)methyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride |
2-(2,6-Dimethoxyphenoxyethyl)aminomethyl-1,4-benzodioxane hydrochloride |
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride |
CHEBI:64094 |
(+/-)-WB 4101 (hydrochloride) |
2((2,6-DIMETHOXYPHENOXY-ETHYL)*AMINOMETHYL)-1,4-BENZ |
MLS000859914 |
(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(2-(2,6-dimethoxyphenoxy)ethyl)ammonium chloride |
(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)2-(2,6-dimethoxyphenoxy)ethylammonium chloride |
2- (2,6-DIMETHOXYPHENOXYETHYL)AMINOMETHYL-1,4-BENZODIOXANE HYDROCHLORIDE (WB 4101) |
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanaminium chloride |
WB 4101 hydrochloride; WB-4101 hydrochloride ;WB 4101 (antagonist) hydrochloride |
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine;hydrochloride |
SR-01000075254 |
SMR000326775 |
EU-0100335 |
SCHEMBL989002 |
SPECTRUM1503647 |
CHEMBL556001 |
DTXSID2042565 |
NIOSH/DE8670000 |
CAA17058 |
EINECS 218-520-3 |
Tox21_500335 |
CCG-39353 |
AKOS024458707 |
LP00335 |
NCGC00093775-01 |
NCGC00093775-02 |
NCGC00093775-03 |
NCGC00261020-01 |
WB-4101 hydrochloride, analytical standard |
DE86700000 |
D 0411 |
E76693 |
J-014246 |
SR-01000075254-1 |
SR-01000075254-3 |
Q27133026 |
2-(2,6-Dimethoxyphenoxyethyl)aminomethyl-1,4-benzodioxane hydrochloride |
1,4-Benzodiaxan-2-methylamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-, hydrochloride |
1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-, HCl (9CI) |
2,3-Dihydro-1,4-benzodioxin-3-ylmethyl-2-(2,6-dimethoxyphenoxy)ethylazanium;chloride |
2-(((2-(2,6-Dimethoxyphenoxy)ethyl)amino)methyl)-1,4-benzodioxan hydrochloride |
N-(2-(2,6-Dimethoxyphenoxy)ethyl)-1,4-benzodiaxan-2-methylamine hydrochloride |
Experimental Data
WB 4101 hydrochloride
| 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 | 33.000000000000000 | umol/L | -4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
WB 4101 hydrochloride
Statistics Data
WB 4101 hydrochloride
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -4.000000000000000 | 1 | 1 |
Statistics Data Visualization
WB 4101 hydrochloride
