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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H34N4O2
Molecular Weight 421.5638
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WAY-100635 CARBONYL-C-11

SMILES

COC1=CC=CC=C1N2CCN(CCN(C3=CC=CC=N3)[11C](=O)C4CCCCC4)CC2

InChI

InChIKey=SBPRIAGPYFYCRT-FNNGWQQSSA-N
InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3/i25-1

HIDE SMILES / InChI

Molecular Formula C25H34N4O2
Molecular Weight 421.5638
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:15:43 GMT 2025
Edited
by admin
on Mon Mar 31 18:15:43 GMT 2025
Record UNII
DAV805YGOX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WAY-100635 CARBONYL-C-11
Common Name English
WAY-100635, C-11 CARBONYL
Preferred Name English
CYCLOHEXANECARBOXAMIDE-11C, N-(2-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)-N-2-PYRIDINYL-
Systematic Name English
N-(2-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)-N-2-PYRIDINYLCYCLOHEXANECARBOXAMIDE-11C
Systematic Name English
Code System Code Type Description
FDA UNII
DAV805YGOX
Created by admin on Mon Mar 31 18:15:43 GMT 2025 , Edited by admin on Mon Mar 31 18:15:43 GMT 2025
PRIMARY
CAS
162760-97-6
Created by admin on Mon Mar 31 18:15:43 GMT 2025 , Edited by admin on Mon Mar 31 18:15:43 GMT 2025
PRIMARY
PUBCHEM
449645
Created by admin on Mon Mar 31 18:15:43 GMT 2025 , Edited by admin on Mon Mar 31 18:15:43 GMT 2025
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
TARGET->RADIOLIGAND
Kd
TARGET->RADIOLIGAND
Kd
Related Record Type Details
ACTIVE MOIETY