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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H26N4O4
Molecular Weight 410.4662
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETOXYNITAZENE

SMILES

CCN(CC)CCN1C(CC2=CC=C(OC(C)=O)C=C2)=NC3=CC(=CC=C13)[N+]([O-])=O

InChI

InChIKey=YFXUKAOJFVCFLK-UHFFFAOYSA-N
InChI=1S/C22H26N4O4/c1-4-24(5-2)12-13-25-21-11-8-18(26(28)29)15-20(21)23-22(25)14-17-6-9-19(10-7-17)30-16(3)27/h6-11,15H,4-5,12-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C22H26N4O4
Molecular Weight 410.4662
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 Sat Dec 16 19:09:40 GMT 2023
Edited
by admin
on Sat Dec 16 19:09:40 GMT 2023
Record UNII
DH3K5P5S7F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETOXYNITAZENE
Common Name English
PHENOL, 4-((1-(2-(DIETHYLAMINO)ETHYL)-5-NITRO-1H-BENZIMIDAZOL-2-YL)METHYL)-, 1-ACETATE
Systematic Name English
P-CRESOL, .ALPHA.-(1-(2-DIETHYLAMINOETHYL)-5-NITRO-2-BENZIMIDAZOLYL)-, ACETATE
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA List_of_benzimidazole_opioids
Created by admin on Sat Dec 16 19:09:41 GMT 2023 , Edited by admin on Sat Dec 16 19:09:41 GMT 2023
Code System Code Type Description
FDA UNII
DH3K5P5S7F
Created by admin on Sat Dec 16 19:09:41 GMT 2023 , Edited by admin on Sat Dec 16 19:09:41 GMT 2023
PRIMARY
PUBCHEM
162623779
Created by admin on Sat Dec 16 19:09:41 GMT 2023 , Edited by admin on Sat Dec 16 19:09:41 GMT 2023
PRIMARY
CAS
102760-24-7
Created by admin on Sat Dec 16 19:09:41 GMT 2023 , Edited by admin on Sat Dec 16 19:09:41 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
POTENCY
Related Record Type Details
ACTIVE MOIETY