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

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

Molecular Formula C10H16N2O5S
Molecular Weight 276.309
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:39:30 UTC 2023
Edited
by admin
on Sat Dec 16 17:39:30 UTC 2023
Record UNII
STM6FWL9M4
Record Status Validated (UNII)
Record Version
  • Download
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
Common Name English
Code System Code Type Description
FDA UNII
STM6FWL9M4
Created by admin on Sat Dec 16 17:39:30 UTC 2023 , Edited by admin on Sat Dec 16 17:39:30 UTC 2023
PRIMARY
PUBCHEM
165412060
Created by admin on Sat Dec 16 17:39:30 UTC 2023 , Edited by admin on Sat Dec 16 17:39:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FASTED STATE
URINE
PARENT -> METABOLITE
PLASMA
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC SINGLE DOSE

Biological Half-life PHARMACOKINETIC SINGLE DOSE