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

Details

Stereochemistry RACEMIC
Molecular Formula C21H27NO2
Molecular Weight 324.4453
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WMS-1405 C-11

SMILES

[11CH3]OC1=CC=C2C(O)CN(CCCCC3=CC=CC=C3)CCC2=C1

InChI

InChIKey=NXWYICVCGHHJOR-BJUDXGSMSA-N
InChI=1S/C21H27NO2/c1-24-19-10-11-20-18(15-19)12-14-22(16-21(20)23)13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,21,23H,5-6,9,12-14,16H2,1H3/i1-1

HIDE SMILES / InChI

Molecular Formula C21H27NO2
Molecular Weight 324.4453
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:13:25 UTC 2023
Edited
by admin
on Sat Dec 16 20:13:25 UTC 2023
Record UNII
XX3QC8K6GD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WMS-1405 C-11
Code English
1H-3-Benzazepin-1-ol, 2,3,4,5-tetrahydro-7-(methoxy-11C)-3-(4-phenylbutyl)-
Systematic Name English
11C-Me-NB1
Common Name English
[11C]WMS-1405
Code English
Code System Code Type Description
PUBCHEM
130304656
Created by admin on Sat Dec 16 20:13:25 UTC 2023 , Edited by admin on Sat Dec 16 20:13:25 UTC 2023
PRIMARY
FDA UNII
XX3QC8K6GD
Created by admin on Sat Dec 16 20:13:25 UTC 2023 , Edited by admin on Sat Dec 16 20:13:25 UTC 2023
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND
Ki
NON-LABELED -> LABELED