WB-4101

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H23NO5
Molecular Weight	345.3896
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of WB-4101

Structure Search

SMILES

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

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	345.3896
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Adrenergic receptor alpha-1 169 Target ID: CHEMBL1907610 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3010073	Antagonist 2778		2.63 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:14:40 UTC 2023` Edited by `admin` on `Sat Dec 16 08:14:40 UTC 2023`
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 Dec 16 08:14:40 UTC 2023 , Edited by admin on Sat Dec 16 08:14:40 UTC 2023

PRIMARY

PUBCHEM

5685

Created by admin on Sat Dec 16 08:14:40 UTC 2023 , Edited by admin on Sat Dec 16 08:14:40 UTC 2023

PRIMARY

CHEBI

64098

Created by admin on Sat Dec 16 08:14:40 UTC 2023 , Edited by admin on Sat Dec 16 08:14:40 UTC 2023

PRIMARY

FDA UNII

E9H51OIT2B

Created by admin on Sat Dec 16 08:14:40 UTC 2023 , Edited by admin on Sat Dec 16 08:14:40 UTC 2023

PRIMARY

WIKIPEDIA

WB-4101

Created by admin on Sat Dec 16 08:14:40 UTC 2023 , Edited by admin on Sat Dec 16 08:14:40 UTC 2023

PRIMARY

EPA CompTox

DTXSID1043885

Created by admin on Sat Dec 16 08:14:40 UTC 2023 , Edited by admin on Sat Dec 16 08:14:40 UTC 2023

PRIMARY

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