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

Details

Stereochemistry RACEMIC
Molecular Formula C20H30N4O2
Molecular Weight 358.4778
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADB-HEXINACA

SMILES

CCCCCCN1N=C(C(=O)NC(C(N)=O)C(C)(C)C)C2=CC=CC=C12

InChI

InChIKey=PZMLDAGKYPJWHJ-UHFFFAOYSA-N
InChI=1S/C20H30N4O2/c1-5-6-7-10-13-24-15-12-9-8-11-14(15)16(23-24)19(26)22-17(18(21)25)20(2,3)4/h8-9,11-12,17H,5-7,10,13H2,1-4H3,(H2,21,25)(H,22,26)

HIDE SMILES / InChI

Molecular Formula C20H30N4O2
Molecular Weight 358.4778
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 Sat Dec 16 18:47:44 GMT 2023
Edited
by admin
on Sat Dec 16 18:47:44 GMT 2023
Record UNII
S52CH8BKB6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADB-HEXINACA
Common Name English
ADB-HEXINACA [NFLIS-DRUG]
Common Name English
N-(1-AMINO-3,3-DIMETHYL-1-OXOBUTAN-2-YL)-1-HEXYL-1H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
S52CH8BKB6
Created by admin on Sat Dec 16 18:47:44 GMT 2023 , Edited by admin on Sat Dec 16 18:47:44 GMT 2023
PRIMARY
PUBCHEM
162705326
Created by admin on Sat Dec 16 18:47:44 GMT 2023 , Edited by admin on Sat Dec 16 18:47:44 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY