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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H25BrN2O3
Molecular Weight 457.36
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WIN 54,461

SMILES

COC1=CC=C(C=C1)C(=O)C2=C(C)N(CCN3CCOCC3)C4=C2C=CC(Br)=C4

InChI

InChIKey=DUYGSAPQVOBOCS-UHFFFAOYSA-N
InChI=1S/C23H25BrN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C23H25BrN2O3
Molecular Weight 457.36
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
PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:03:36 GMT 2023
Edited
by admin
on Sat Dec 16 17:03:36 GMT 2023
Record UNII
379WF7JJ36
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WIN 54,461
Common Name English
METHANONE, (6-BROMO-2-METHYL-1-(2-(4-MORPHOLINYL)ETHYL)-1H-INDOL-3-YL)(4-METHOXYPHENYL)-
Systematic Name English
(6-BROMO-2-METHYL-1-(2-(4-MORPHOLINYL)ETHYL)-1H-INDOL-3-YL)(4-METHOXYPHENYL)METHANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
9868699
Created by admin on Sat Dec 16 17:03:36 GMT 2023 , Edited by admin on Sat Dec 16 17:03:36 GMT 2023
PRIMARY
CAS
166599-63-9
Created by admin on Sat Dec 16 17:03:36 GMT 2023 , Edited by admin on Sat Dec 16 17:03:36 GMT 2023
PRIMARY
FDA UNII
379WF7JJ36
Created by admin on Sat Dec 16 17:03:36 GMT 2023 , Edited by admin on Sat Dec 16 17:03:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID901017332
Created by admin on Sat Dec 16 17:03:36 GMT 2023 , Edited by admin on Sat Dec 16 17:03:36 GMT 2023
PRIMARY
Related Record Type Details
TARGET->INVERSE AGONIST
Related Record Type Details
ACTIVE MOIETY