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

Details

Stereochemistry RACEMIC
Molecular Formula C14H19NO3
Molecular Weight 249.3056
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIPENTYLONE

SMILES

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

InChI

InChIKey=PQTJKFUXRBKONZ-UHFFFAOYSA-N
InChI=1S/C14H19NO3/c1-4-5-11(15(2)3)14(16)10-6-7-12-13(8-10)18-9-17-12/h6-8,11H,4-5,9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C14H19NO3
Molecular Weight 249.3056
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
715.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:41:43 GMT 2023
Edited
by admin
on Sat Dec 16 10:41:43 GMT 2023
Record UNII
V41961I345
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIPENTYLONE
Common Name English
VALEROPHENONE, 2-(DIMETHYLAMINO)-3',4'-(METHYLENEDIOXY)-
Systematic Name English
.BETA.K-DMBDP
Common Name English
N,N-Dimethylpentylone
Common Name English
BK-DMBDP
Common Name English
1-PENTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(DIMETHYLAMINO)-
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-Dipentylone
Created by admin on Sat Dec 16 10:41:43 GMT 2023 , Edited by admin on Sat Dec 16 10:41:43 GMT 2023
Code System Code Type Description
PUBCHEM
119057570
Created by admin on Sat Dec 16 10:41:43 GMT 2023 , Edited by admin on Sat Dec 16 10:41:43 GMT 2023
PRIMARY
CAS
803614-36-0
Created by admin on Sat Dec 16 10:41:43 GMT 2023 , Edited by admin on Sat Dec 16 10:41:43 GMT 2023
PRIMARY
FDA UNII
V41961I345
Created by admin on Sat Dec 16 10:41:43 GMT 2023 , Edited by admin on Sat Dec 16 10:41:43 GMT 2023
PRIMARY
WEB RESOURCE
DIPENTYLONE
Created by admin on Sat Dec 16 10:41:43 GMT 2023 , Edited by admin on Sat Dec 16 10:41:43 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
METABOLITE ACTIVE -> PARENT
Related Record Type Details
ACTIVE MOIETY