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Details

Stereochemistry RACEMIC
Molecular Formula C10H16N2O5S
Molecular Weight 276.309
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (5E)-5-((3-METHYL-1,1-DIOXO-1,4-THIAZINAN-4-YL)IMINO)-4-OXO-PENTANOIC ACID

SMILES

CC1CS(=O)(=O)CCN1\N=C\C(=O)CCC(O)=O

InChI

InChIKey=ASAPWGFMZJYNHF-IZZDOVSWSA-N
InChI=1S/C10H16N2O5S/c1-8-7-18(16,17)5-4-12(8)11-6-9(13)2-3-10(14)15/h6,8H,2-5,7H2,1H3,(H,14,15)/b11-6+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(5E)-5-((3-METHYL-1,1-DIOXO-1,4-THIAZINAN-4-YL)IMINO)-4-OXO-PENTANOIC ACID
Systematic Name English
NIFURTIMOX METABOLITE M-3
Preferred Name English
Code System Code Type Description
FDA UNII
STM6FWL9M4
Created by admin on Wed Apr 02 09:24:26 GMT 2025 , Edited by admin on Wed Apr 02 09:24:26 GMT 2025
PRIMARY
PUBCHEM
165412060
Created by admin on Wed Apr 02 09:24:26 GMT 2025 , Edited by admin on Wed Apr 02 09:24:26 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of NIFURTIMOX
NIH
NCATS
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