U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C19H23NO5
Molecular Weight 345.3903
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WB-4101

SMILES

COc1cccc(c1OCCNCC2COc3ccccc3O2)OC

InChI

InChIKey=GYSZUJHYXCZAKI-UHFFFAOYSA-N
InChI=1S/C19H23NO5/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

HIDE SMILES / InChI

Molecular Formula C19H23NO5
Molecular Weight 345.3903
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.63 nM [Ki]
Substance Class Chemical
Created
by admin
on Sat Jun 26 12:16:58 UTC 2021
Edited
by admin
on Sat Jun 26 12:16:58 UTC 2021
Record UNII
E9H51OIT2B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WB-4101
Common Name English
WB-4101, (+/-)-
Code English
N-(2-(2,6-DIMETHOXYPHENOXY)ETHYL)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-METHANAMINE
Systematic Name English
(2-(2',6'-DIMETHOXY)PHENOXYETHYLAMINO)METHYLBENZO-1,4-DIOXANE
Common Name English
1,4-BENZODIOXIN-2-METHANAMINE, N-(2-(2,6-DIMETHOXYPHENOXY)ETHYL)-2,3-DIHYDRO-
Systematic Name English
Code System Code Type Description
CAS
613-67-2
Created by admin on Sat Jun 26 12:16:58 UTC 2021 , Edited by admin on Sat Jun 26 12:16:58 UTC 2021
PRIMARY
PUBCHEM
5685
Created by admin on Sat Jun 26 12:16:58 UTC 2021 , Edited by admin on Sat Jun 26 12:16:58 UTC 2021
PRIMARY
FDA UNII
E9H51OIT2B
Created by admin on Sat Jun 26 12:16:58 UTC 2021 , Edited by admin on Sat Jun 26 12:16:58 UTC 2021
PRIMARY
WIKIPEDIA
WB-4101
Created by admin on Sat Jun 26 12:16:58 UTC 2021 , Edited by admin on Sat Jun 26 12:16:58 UTC 2021
PRIMARY
EPA CompTox
613-67-2
Created by admin on Sat Jun 26 12:16:58 UTC 2021 , Edited by admin on Sat Jun 26 12:16:58 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR