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Details

Stereochemistry RACEMIC
Molecular Formula C13H17NO3
Molecular Weight 235.279
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIBUTYLONE

SMILES

CCC(N(C)C)C(=O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=USEBIPUIVPERGC-UHFFFAOYSA-N
InChI=1S/C13H17NO3/c1-4-10(14(2)3)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10H,4,8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H17NO3
Molecular Weight 235.279
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 13:37:00 GMT 2025
Edited
by admin
on Wed Apr 02 13:37:00 GMT 2025
Record UNII
3ZLY5MSD6N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BK-DMBDB
Preferred Name English
DIBUTYLONE
Common Name English
1-(BENZO(D)(1,3)DIOXOL-5-YL)-2-(DIMETHYLAMINO)BUTAN-1-ONE
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-Dibutylone
Created by admin on Wed Apr 02 13:37:00 GMT 2025 , Edited by admin on Wed Apr 02 13:37:00 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID201016921
Created by admin on Wed Apr 02 13:37:00 GMT 2025 , Edited by admin on Wed Apr 02 13:37:00 GMT 2025
PRIMARY
FDA UNII
3ZLY5MSD6N
Created by admin on Wed Apr 02 13:37:00 GMT 2025 , Edited by admin on Wed Apr 02 13:37:00 GMT 2025
PRIMARY
PUBCHEM
71308182
Created by admin on Wed Apr 02 13:37:00 GMT 2025 , Edited by admin on Wed Apr 02 13:37:00 GMT 2025
PRIMARY
CAS
802286-83-5
Created by admin on Wed Apr 02 13:37:00 GMT 2025 , Edited by admin on Wed Apr 02 13:37:00 GMT 2025
PRIMARY
SMS_ID
100000177569
Created by admin on Wed Apr 02 13:37:00 GMT 2025 , Edited by admin on Wed Apr 02 13:37:00 GMT 2025
PRIMARY
WIKIPEDIA
DIBUTYLONE
Created by admin on Wed Apr 02 13:37:00 GMT 2025 , Edited by admin on Wed Apr 02 13:37:00 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY