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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H39NO4
Molecular Weight 393.5601
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-128042

SMILES

CCCCCCCCCCC(C)(C)C(=O)NC1=C(OC)C=C(OC)C=C1OC

InChI

InChIKey=WAFNZAURAWBNDZ-UHFFFAOYSA-N
InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C23H39NO4
Molecular Weight 393.5601
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:32:44 UTC 2023
Edited
by admin
on Fri Dec 15 15:32:44 UTC 2023
Record UNII
8653IQ20EA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PD-128042
Code English
CI-976
Code English
DODECANAMIDE, 2,2-DIMETHYL-N-(2,4,6-TRIMETHOXYPHENYL)-
Common Name English
2,2-DIMETHYL-N-(2,4,6-TRIMETHOXYPHENYL)DODECANAMIDE
Common Name English
Code System Code Type Description
FDA UNII
8653IQ20EA
Created by admin on Fri Dec 15 15:32:44 UTC 2023 , Edited by admin on Fri Dec 15 15:32:44 UTC 2023
PRIMARY
PUBCHEM
122327
Created by admin on Fri Dec 15 15:32:44 UTC 2023 , Edited by admin on Fri Dec 15 15:32:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID00150690
Created by admin on Fri Dec 15 15:32:44 UTC 2023 , Edited by admin on Fri Dec 15 15:32:44 UTC 2023
PRIMARY
CAS
114289-47-3
Created by admin on Fri Dec 15 15:32:44 UTC 2023 , Edited by admin on Fri Dec 15 15:32:44 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
PARTIAL AGONIST
POTENCY