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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H27ClN2O
Molecular Weight 370.916
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLOROFENTANYL

SMILES

CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C3=CC=C(Cl)C=C3

InChI

InChIKey=CUGMWAHBYRKBKL-UHFFFAOYSA-N
InChI=1S/C22H27ClN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3

HIDE SMILES / InChI

Molecular Formula C22H27ClN2O
Molecular Weight 370.916
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 13:19:10 GMT 2023
Edited
by admin
on Sat Dec 16 13:19:10 GMT 2023
Record UNII
S84Y6DR4VB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CHLOROFENTANYL
Common Name English
P-CHLORO FENTANYL
Common Name English
CHLOROFENTANYL, PARA-
Common Name English
P-CHLOROFENTANYL
Common Name English
PARA-CHLOROFENTANYL
Common Name English
N-(4-CHLOROPHENYL)-N-(1-PHENETHYL-4-PIPERIDYL)PROPANAMIDE
Systematic Name English
PROPANAMIDE, N-(4-CHLOROPHENYL)-N-(1-(2-PHENYLETHYL)-4-PIPERIDINYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
S84Y6DR4VB
Created by admin on Sat Dec 16 13:19:10 GMT 2023 , Edited by admin on Sat Dec 16 13:19:10 GMT 2023
PRIMARY
PUBCHEM
527011
Created by admin on Sat Dec 16 13:19:10 GMT 2023 , Edited by admin on Sat Dec 16 13:19:10 GMT 2023
PRIMARY
CAS
117994-22-6
Created by admin on Sat Dec 16 13:19:10 GMT 2023 , Edited by admin on Sat Dec 16 13:19:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID801036757
Created by admin on Sat Dec 16 13:19:10 GMT 2023 , Edited by admin on Sat Dec 16 13:19:10 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
ED50(mg/kg) = 0.220, Potency ratio to morphine = 1.5, Potency ratio to fentanyl = 0.03
TARGET -> AGONIST
BINDING
Ki
Related Record Type Details
ACTIVE MOIETY
ED50(mg/kg) = 0.220, Potency ratio to morphine = 1.5, Potency ratio to fentanyl = 0.03