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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H30N4O3
Molecular Weight 410.5093
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTONITAZENE

SMILES

CCN(CC)CCN1C(CC2=CC=C(OC(C)C)C=C2)=NC3=C1C=CC(=C3)[N+]([O-])=O

InChI

InChIKey=OIOQREYBGDAYGT-UHFFFAOYSA-N
InChI=1S/C23H30N4O3/c1-5-25(6-2)13-14-26-22-12-9-19(27(28)29)16-21(22)24-23(26)15-18-7-10-20(11-8-18)30-17(3)4/h7-12,16-17H,5-6,13-15H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C23H30N4O3
Molecular Weight 410.5093
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 15:39:24 GMT 2023
Edited
by admin
on Sat Dec 16 15:39:24 GMT 2023
Record UNII
ZFY1ZBQ8AV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOTONITAZENE
Common Name English
N,N-DIETHYL-2-(2-((4-ISOPROPOXYPHENYL)METHYL)-5-NITRO-BENZIMIDAZOL-1-YL)ETHANAMINE
Systematic Name English
ISO (OPIOID RECEPTOR AGONIST)
Common Name English
N,N-DIETHYL-2-(2-(4 ISOPROPOXYBENZYL)-5-NITRO-1H-BENZIMIDAZOL-1-YL)ETHAN-1-AMINE
Common Name English
TONI
Common Name English
N,N-DIETHYL-2-((4-(1-METHYLETHOXY)PHENYL)METHYL)-5-NITRO-1H-BENZIMIDAZOLE-1-ETHANAMINE
Common Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-Isotonitazene
Created by admin on Sat Dec 16 15:39:24 GMT 2023 , Edited by admin on Sat Dec 16 15:39:24 GMT 2023
DEA NO. 9614
Created by admin on Sat Dec 16 15:39:24 GMT 2023 , Edited by admin on Sat Dec 16 15:39:24 GMT 2023
Code System Code Type Description
WIKIPEDIA
Isotonitazene
Created by admin on Sat Dec 16 15:39:24 GMT 2023 , Edited by admin on Sat Dec 16 15:39:24 GMT 2023
PRIMARY
FDA UNII
ZFY1ZBQ8AV
Created by admin on Sat Dec 16 15:39:24 GMT 2023 , Edited by admin on Sat Dec 16 15:39:24 GMT 2023
PRIMARY
SMS_ID
300000039874
Created by admin on Sat Dec 16 15:39:24 GMT 2023 , Edited by admin on Sat Dec 16 15:39:24 GMT 2023
PRIMARY
CAS
14188-81-9
Created by admin on Sat Dec 16 15:39:24 GMT 2023 , Edited by admin on Sat Dec 16 15:39:24 GMT 2023
PRIMARY
PUBCHEM
145721979
Created by admin on Sat Dec 16 15:39:24 GMT 2023 , Edited by admin on Sat Dec 16 15:39:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID201126188
Created by admin on Sat Dec 16 15:39:24 GMT 2023 , Edited by admin on Sat Dec 16 15:39:24 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Emax = 140% of Fentanyl
EC50
TARGET -> AGONIST
Emax 180 of hydromorphone
BIOASSAY (CELLULAR)
EC50
Related Record Type Details
METABOLITE LESS ACTIVE -> PARENT
METABOLITE LESS ACTIVE -> PARENT
METABOLITE ACTIVE -> PARENT
Related Record Type Details
ACTIVE MOIETY