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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

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
TARGET -> AGONIST
Assumed from being on CDC list
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY