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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H27BrN2O
Molecular Weight 415.367
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-BROMOFENTANYL

SMILES

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

InChI

InChIKey=UTXQWNZEVFXSIA-UHFFFAOYSA-N
InChI=1S/C22H27BrN2O/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 C22H27BrN2O
Molecular Weight 415.367
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 Thu Jul 06 23:54:45 UTC 2023
Edited
by admin
on Thu Jul 06 23:54:45 UTC 2023
Record UNII
V5YML8X2JV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-BROMOFENTANYL
Common Name English
PARA-BROMOFENTANYL
Common Name English
PROPANAMIDE, N-(4-BROMOPHENYL)-N-(1-(2-PHENYLETHYL)-4-PIPERIDINYL)-
Systematic Name English
4-Bromofentanyl
Common Name English
N-(4-BROMOPHENYL)-N-(1-(2-PHENYLETHYL)-4-PIPERIDINYL)-PROPANAMIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID801036971
Created by admin on Thu Jul 06 23:54:46 UTC 2023 , Edited by admin on Thu Jul 06 23:54:46 UTC 2023
PRIMARY
PUBCHEM
14129713
Created by admin on Thu Jul 06 23:54:46 UTC 2023 , Edited by admin on Thu Jul 06 23:54:46 UTC 2023
PRIMARY
FDA UNII
V5YML8X2JV
Created by admin on Thu Jul 06 23:54:46 UTC 2023 , Edited by admin on Thu Jul 06 23:54:46 UTC 2023
PRIMARY
CAS
117994-23-7
Created by admin on Thu Jul 06 23:54:46 UTC 2023 , Edited by admin on Thu Jul 06 23:54:46 UTC 2023
PRIMARY
CAYMAN
27536
Created by admin on Thu Jul 06 23:54:46 UTC 2023 , Edited by admin on Thu Jul 06 23:54:46 UTC 2023
PRIMARY
Related Record Type Details
PRECURSOR->PARENT
Assumed immediate precursor from fentanyl.
TARGET -> AGONIST
Rat tail withdrawal test. Morphine ED50 3.15. Fentanyl ED50 0.1 mg/mL
ED50
Related Record Type Details
METABOLITE INACTIVE -> PARENT
Related Record Type Details
ACTIVE MOIETY