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Details

Stereochemistry RACEMIC
Molecular Formula C19H23NO5.ClH
Molecular Weight 381.851
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WB-4101 hydrochloride

SMILES

Cl.COC1=CC=CC(OC)=C1OCCNCC2COC3=CC=CC=C3O2

InChI

InChIKey=KAHMEWANVDFFCQ-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C19H23NO5
Molecular Weight 345.3896
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.63 nM [Ki]
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:55:59 UTC 2023
Edited
by admin
on Sat Dec 16 07:55:59 UTC 2023
Record UNII
44UX7VL6F7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WB-4101 hydrochloride
Common Name English
2-(2,6-Dimethoxyphenoxyethyl)aminomethyl-1,4-benzodioxane hydrochloride
Systematic Name English
1,4-Benzodioxin-2-methanamine, N-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro-, hydrochloride
Systematic Name English
WB4101 HYDROCHLORIDE
Common Name English
1,4-Benzodioxin-2-methanamine, N-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
2170-58-3
Created by admin on Sat Dec 16 07:55:59 UTC 2023 , Edited by admin on Sat Dec 16 07:55:59 UTC 2023
PRIMARY
FDA UNII
44UX7VL6F7
Created by admin on Sat Dec 16 07:55:59 UTC 2023 , Edited by admin on Sat Dec 16 07:55:59 UTC 2023
PRIMARY
ECHA (EC/EINECS)
218-520-3
Created by admin on Sat Dec 16 07:55:59 UTC 2023 , Edited by admin on Sat Dec 16 07:55:59 UTC 2023
PRIMARY
CHEBI
64094
Created by admin on Sat Dec 16 07:55:59 UTC 2023 , Edited by admin on Sat Dec 16 07:55:59 UTC 2023
PRIMARY
PUBCHEM
11957505
Created by admin on Sat Dec 16 07:55:59 UTC 2023 , Edited by admin on Sat Dec 16 07:55:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID2042565
Created by admin on Sat Dec 16 07:55:59 UTC 2023 , Edited by admin on Sat Dec 16 07:55:59 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE