IBD Research Resource Center

BioID	bio198152
Name	2- (2,6-DIMETHOXYPHENOXYETHYL)AMINOMETHYL-1,4-BENZODIOXANE HYDROCHLORIDE (WB 4101)
ChEMBL ID	CHEMBL556001
Molecular Formula	C19H24ClNO5
Molecular Weight	381.86
Molecular Weight (Monoisotopic)	345.1576
Type	Small molecule
Max Phase	--
Target ID	Tar81
Target Name	None
Synonyms	None
Smiles	COc1cccc(OC)c1OCCNCC1COc2ccccc2O1.Cl
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
Inchi Key	KAHMEWANVDFFCQ-UHFFFAOYSA-N
Molecular Species	BASE
Targets	24.0
Bioactivities	46.0
Np Likeness Score	-0.2
Records Key	['WB-4101 hydrochloride', '2', '1', 'SID50106098', 'SID26747488', 'NCGC00093775-01, WB-4101', 'SID46500396', 'WB-4101', '2- (2,6-DIMETHOXYPHENOXYETHYL)AMINOMETHYL-1,4-BENZODIOXANE HYDROCHLORIDE (WB 4101)', 'WB-4101', 'WB-4101', 'WB-4101']
Records Name	['N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride', '(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[2-(2,6-dimethoxy-phenoxy)-ethyl]-amine hydrochloride', '(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[2-(2,6-dimethoxy-phenoxy)-ethyl]-amine hydrochloride', 'SID50106098', 'SID26747488', 'N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride', 'SID46500396', 'WB-4101', '2- (2,6-DIMETHOXYPHENOXYETHYL)AMINOMETHYL-1,4-BENZODIOXANE HYDROCHLORIDE (WB 4101)', 'WB-4101', 'WB-4101', 'WB-4101']
Withdrawn Flag	False
Orphan	-1