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Details

Stereochemistry RACEMIC
Molecular Formula C25H33BrN2O3
Molecular Weight 489.445
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(DOB) Fentanyl

SMILES

CCC(=O)N(C1CCN(CC1)C(C)CC2=CC(OC)=C(Br)C=C2OC)C3=CC=CC=C3

InChI

InChIKey=NVCARFLHKMIFTK-UHFFFAOYSA-N
InChI=1S/C25H33BrN2O3/c1-5-25(29)28(20-9-7-6-8-10-20)21-11-13-27(14-12-21)18(2)15-19-16-24(31-4)22(26)17-23(19)30-3/h6-10,16-18,21H,5,11-15H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C25H33BrN2O3
Molecular Weight 489.445
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:17:40 GMT 2025
Edited
by admin
on Wed Apr 02 21:17:40 GMT 2025
Record UNII
E5F96KH65P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2',5'-Dimethoxy 4'-bromo ?-methyl fentanyl
Preferred Name English
N-(DOB) Fentanyl
Common Name English
N-(4-Bromo-2,5-DMA) fentanyl
Common Name English
N-(1-(1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl)piperidin-4-yl)-N-phenylpropionamide
Systematic Name English
Classification Tree Code System Code
CDC N-(DOB) Fentanyl
Created by admin on Wed Apr 02 21:17:40 GMT 2025 , Edited by admin on Wed Apr 02 21:17:40 GMT 2025
Code System Code Type Description
FDA UNII
E5F96KH65P
Created by admin on Wed Apr 02 21:17:40 GMT 2025 , Edited by admin on Wed Apr 02 21:17:40 GMT 2025
PRIMARY
PUBCHEM
165361493
Created by admin on Wed Apr 02 21:17:40 GMT 2025 , Edited by admin on Wed Apr 02 21:17:40 GMT 2025
PRIMARY
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ACTIVE MOIETY