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Details

Stereochemistry ACHIRAL
Molecular Formula C21H26N4O2S
Molecular Weight 398.522
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLTHIONITAZENE

SMILES

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

InChI

InChIKey=ODVCNMQMXRKHGM-UHFFFAOYSA-N
InChI=1S/C21H26N4O2S/c1-4-23(5-2)12-13-24-20-11-8-17(25(26)27)15-19(20)22-21(24)14-16-6-9-18(28-3)10-7-16/h6-11,15H,4-5,12-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C21H26N4O2S
Molecular Weight 398.522
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 Thu Jul 06 23:27:29 UTC 2023
Edited
by admin
on Thu Jul 06 23:27:29 UTC 2023
Record UNII
JW27AV47BF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLTHIONITAZENE
Common Name English
1H-BENZIMIDAZOLE-1-ETHANAMINE, N,N-DIETHYL-2-((4-(METHYLTHIO)PHENYL)METHYL)-5-NITRO-
Systematic Name English
N,N-DIETHYL-2-((4-(METHYLTHIO)PHENYL)METHYL)-5-NITRO-1H-BENZIMIDAZOLE-1-ETHANAMINE
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA List_of_benzimidazole_opioids
Created by admin on Thu Jul 06 23:27:30 UTC 2023 , Edited by admin on Thu Jul 06 23:27:30 UTC 2023
Code System Code Type Description
CAS
102471-37-4
Created by admin on Thu Jul 06 23:27:30 UTC 2023 , Edited by admin on Thu Jul 06 23:27:30 UTC 2023
PRIMARY
FDA UNII
JW27AV47BF
Created by admin on Thu Jul 06 23:27:30 UTC 2023 , Edited by admin on Thu Jul 06 23:27:30 UTC 2023
PRIMARY
PUBCHEM
162623790
Created by admin on Thu Jul 06 23:27:30 UTC 2023 , Edited by admin on Thu Jul 06 23:27:30 UTC 2023
PRIMARY
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