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Details

Stereochemistry ACHIRAL
Molecular Formula C4H4N3O2S.Na
Molecular Weight 181.148
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 1-methyl-4-nitro-5-thioimidazole

SMILES

[Na+].CN1C=NC(=C1[S-])[N+]([O-])=O

InChI

InChIKey=XGIYFKDJQFVJPS-UHFFFAOYSA-M
InChI=1S/C4H5N3O2S.Na/c1-6-2-5-3(4(6)10)7(8)9;/h2,10H,1H3;/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Effects of azathioprine on the human mixed lymphocyte reaction (MLR).
1983-02
Studies on the mechanism of formation of 5-mercapto-1-methyl-4-nitroimidazole, a metabolite of the immunosuppressive drug azathioprine.
1974-07-01
Patents

Patents

4900825
2
5120753
2
5231108
2
WO1990004966A2
2
Name Type Language
Sodium 1-methyl-4-nitro-5-thioimidazole
Systematic Name English
1H-Imidazole-5-thiol, 1-methyl-4-nitro-, sodium salt (1:1)
Preferred Name English
Imidazole-5-thiol, 1-methyl-4-nitro-, sodium salt
Systematic Name English
Code System Code Type Description
FDA UNII
K8QWZ57A65
Created by admin on Wed Apr 02 19:49:21 GMT 2025 , Edited by admin on Wed Apr 02 19:49:21 GMT 2025
PRIMARY
CAS
13755-57-2
Created by admin on Wed Apr 02 19:49:21 GMT 2025 , Edited by admin on Wed Apr 02 19:49:21 GMT 2025
PRIMARY
NIH
NCATS
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