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

Details

Stereochemistry ACHIRAL
Molecular Formula C27H28N2O3
Molecular Weight 428.5228
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZODIOXOLEFENTANYL

SMILES

O=C(N(C1CCN(CCC2=CC=CC=C2)CC1)C3=CC=CC=C3)C4=CC5=C(OCO5)C=C4

InChI

InChIKey=ZFAAZMIOHJNKGD-UHFFFAOYSA-N
InChI=1S/C27H28N2O3/c30-27(22-11-12-25-26(19-22)32-20-31-25)29(23-9-5-2-6-10-23)24-14-17-28(18-15-24)16-13-21-7-3-1-4-8-21/h1-12,19,24H,13-18,20H2

HIDE SMILES / InChI

Molecular Formula C27H28N2O3
Molecular Weight 428.5228
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 15:22:33 UTC 2023
Edited
by admin
on Sat Dec 16 15:22:33 UTC 2023
Record UNII
HK044U64R4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZODIOXOLEFENTANYL
Common Name English
1,3-BENZODIOXOLE-5-CARBOXAMIDE, N-PHENYL-N-(1-(2-PHENYLETHYL)-4-PIPERIDINYL)-
Systematic Name English
N-PHENYL-N-(1-(2-PHENYLETHYL)PIPERIDIN-4-YL)-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDE
Systematic Name English
N-PHENYL-N-(1-(2-PHENYLETHYL)-4-PIPERIDINYL)-1,3-BENZODIOXOLE-5-CARBOXAMIDE
Systematic Name English
N-(1-PHENETHYLPIPERIDIN-4-YL)-N-PHENYLBENZO(D)(1,3)DIOXOLE-5-CARBOXAMIDE
Systematic Name English
BENZODIOXOLE FENTANYL [NFLIS-DRUG]
Common Name English
Classification Tree Code System Code
WIKIPEDIA List_of_fentanyl_analogues
Created by admin on Sat Dec 16 15:22:33 UTC 2023 , Edited by admin on Sat Dec 16 15:22:33 UTC 2023
Code System Code Type Description
WIKIPEDIA
Benzodioxolefentanyl
Created by admin on Sat Dec 16 15:22:33 UTC 2023 , Edited by admin on Sat Dec 16 15:22:33 UTC 2023
PRIMARY
EPA CompTox
DTXSID001036791
Created by admin on Sat Dec 16 15:22:33 UTC 2023 , Edited by admin on Sat Dec 16 15:22:33 UTC 2023
PRIMARY
FDA UNII
HK044U64R4
Created by admin on Sat Dec 16 15:22:33 UTC 2023 , Edited by admin on Sat Dec 16 15:22:33 UTC 2023
PRIMARY
CAS
2306823-01-6
Created by admin on Sat Dec 16 15:22:33 UTC 2023 , Edited by admin on Sat Dec 16 15:22:33 UTC 2023
PRIMARY
PUBCHEM
129597846
Created by admin on Sat Dec 16 15:22:33 UTC 2023 , Edited by admin on Sat Dec 16 15:22:33 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY