U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C18H26N2O3
Molecular Weight 318.4106
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-Ethylenedioxy U-47700

SMILES

CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)C2=CC=C3OCCOC3=C2

InChI

InChIKey=KKMGSAIPMRCJFU-HUUCEWRRSA-N
InChI=1S/C18H26N2O3/c1-19(2)14-6-4-5-7-15(14)20(3)18(21)13-8-9-16-17(12-13)23-11-10-22-16/h8-9,12,14-15H,4-7,10-11H2,1-3H3/t14-,15-/m1/s1

HIDE SMILES / InChI
Molecular Formula C18H26N2O3
Molecular Weight 318.4106
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 21:23:38 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:38 GMT 2025
Record UNII
HAL47U8S5M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-EDO U-47700
Preferred Name English
3,4-Ethylenedioxy U-47700
Common Name English
trans-N-2-(Dimethylamino)cyclohexyl)-N-methyl-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
Systematic Name English
1,4-Benzodioxin-6-carboxamide, N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-2,3-dihydro-N-methyl-, rel-
Systematic Name English
rel-N-[(1R,2R)-2-(Dimethylamino)cyclohexyl]-2,3-dihydro-N-methyl-1,4-benzodioxin-6-carboxamide
Systematic Name English
Classification Tree Code System Code
CDC 3,4-Ethylenedioxy U-51754
Created by admin on Wed Apr 02 21:23:38 GMT 2025 , Edited by admin on Wed Apr 02 21:23:38 GMT 2025
Code System Code Type Description
FDA UNII
HAL47U8S5M
Created by admin on Wed Apr 02 21:23:38 GMT 2025 , Edited by admin on Wed Apr 02 21:23:38 GMT 2025
PRIMARY
CAS
2749619-08-5
Created by admin on Wed Apr 02 21:23:38 GMT 2025 , Edited by admin on Wed Apr 02 21:23:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID201342948
Created by admin on Wed Apr 02 21:23:38 GMT 2025 , Edited by admin on Wed Apr 02 21:23:38 GMT 2025
PRIMARY
PUBCHEM
137700298
Created by admin on Wed Apr 02 21:23:38 GMT 2025 , Edited by admin on Wed Apr 02 21:23:38 GMT 2025
PRIMARY
Related Record Type Details
MU-TYPE OPIOID RECEPTOR
TARGET -> AGONIST
Assumed from being on CDC list
Structure of 3,4-Ethylenedioxy U-47700 hydrochloride
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of 3,4-Ethylenedioxy U-47700
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966