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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H29NO2
Molecular Weight 327.4605
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UR-144 N-5-HYDROXYPENTYL

SMILES

CC1(C)C(C(=O)C2=CN(CCCCCO)C3=CC=CC=C23)C1(C)C

InChI

InChIKey=AFWBYMXUEMOBRP-UHFFFAOYSA-N
InChI=1S/C21H29NO2/c1-20(2)19(21(20,3)4)18(24)16-14-22(12-8-5-9-13-23)17-11-7-6-10-15(16)17/h6-7,10-11,14,19,23H,5,8-9,12-13H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H29NO2
Molecular Weight 327.4605
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 Sat Dec 16 11:20:09 UTC 2023
Edited
by admin
on Sat Dec 16 11:20:09 UTC 2023
Record UNII
4MC625LVID
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UR-144 N-5-HYDROXYPENTYL
Common Name English
UR-144 N-(5-HYDROXYPENTYL)METABOLITE
Common Name English
5-HYDROXY-UR-144
Common Name English
METHANONE, (1-(5-HYDROXYPENTYL)-1H-INDOL-3-YL)(2,2,3,3-TETRAMETHYLCYCLOPROPYL)-
Systematic Name English
Code System Code Type Description
CAS
895155-95-0
Created by admin on Sat Dec 16 11:20:10 UTC 2023 , Edited by admin on Sat Dec 16 11:20:10 UTC 2023
PRIMARY
FDA UNII
4MC625LVID
Created by admin on Sat Dec 16 11:20:10 UTC 2023 , Edited by admin on Sat Dec 16 11:20:10 UTC 2023
PRIMARY
PUBCHEM
11515395
Created by admin on Sat Dec 16 11:20:10 UTC 2023 , Edited by admin on Sat Dec 16 11:20:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID801024750
Created by admin on Sat Dec 16 11:20:10 UTC 2023 , Edited by admin on Sat Dec 16 11:20:10 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Mouse AtT-20 neuroblastoma cells stably transfected with human CB1
EC50
TARGET -> AGONIST
Mouse AtT-20 neuroblastoma cells stably transfected with human CB2
EC50
Related Record Type Details
PARENT -> METABOLITE
XLR-11 was incubated with pooled human hepatocytes. Seven major metabolites were observed after 3-hr incubation.
IN-VITRO
Scientific Literature
PARENT -> METABOLITE ACTIVE
Agonist of Human cannabinoid 1 & 2 receptors (CB1, CB2); Ki=680 nM (CB1), 0.71 nM(CB2)
IN-VITRO
Scientific Literature