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 ACHIRAL
Molecular Formula C23H31N3O
Molecular Weight 365.5117
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APINACA

SMILES

CCCCCN1N=C(C(=O)NC23CC4CC(CC(C4)C2)C3)C5=C1C=CC=C5

InChI

InChIKey=UCTCCIPCJZKWEZ-UHFFFAOYSA-N
InChI=1S/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)

HIDE SMILES / InChI

Molecular Formula C23H31N3O
Molecular Weight 365.5117
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 Mon Mar 31 23:09:08 GMT 2025
Edited
by admin
on Mon Mar 31 23:09:08 GMT 2025
Record UNII
MHR0400Y84
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APINACA
Common Name English
AKB-48
Preferred Name English
AKB48
Code English
1-PENTYL-N-TRICYCLO(3.3.1.13,7)DEC-1-YL-1H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
J3.410.295C
Code English
1H-INDAZOLE-3-CARBOXAMIDE, 1-PENTYL-N-TRICYCLO(3.3.1.13,7)DEC-1-YL-
Systematic Name English
Classification Tree Code System Code
DEA NO. 7048
Created by admin on Mon Mar 31 23:09:08 GMT 2025 , Edited by admin on Mon Mar 31 23:09:08 GMT 2025
WIKIPEDIA Designer-drugs-APINACA
Created by admin on Mon Mar 31 23:09:08 GMT 2025 , Edited by admin on Mon Mar 31 23:09:08 GMT 2025
Code System Code Type Description
WIKIPEDIA
APINACA
Created by admin on Mon Mar 31 23:09:08 GMT 2025 , Edited by admin on Mon Mar 31 23:09:08 GMT 2025
PRIMARY
CAS
1345973-53-6
Created by admin on Mon Mar 31 23:09:08 GMT 2025 , Edited by admin on Mon Mar 31 23:09:08 GMT 2025
PRIMARY
PUBCHEM
57404063
Created by admin on Mon Mar 31 23:09:08 GMT 2025 , Edited by admin on Mon Mar 31 23:09:08 GMT 2025
PRIMARY
FDA UNII
MHR0400Y84
Created by admin on Mon Mar 31 23:09:08 GMT 2025 , Edited by admin on Mon Mar 31 23:09:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID90928683
Created by admin on Mon Mar 31 23:09:08 GMT 2025 , Edited by admin on Mon Mar 31 23:09:08 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Ki
TARGET -> AGONIST
EC50
Related Record Type Details
ACTIVE MOIETY