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Details

Stereochemistry EPIMERIC
Molecular Formula C13H19N3O5S2
Molecular Weight 361.437
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R)-2-AMINO-3-((1-(3-METHYL-1,1-DIOXO-1,4-THIAZINAN-4-YL)-6-OXO-3-PYRIDYL)SULFANYL)PROPANOIC ACID

SMILES

CC1CS(=O)(=O)CCN1N2C=C(SC[C@H](N)C(O)=O)C=CC2=O

InChI

InChIKey=GCINRURSIXTZQM-UMJHXOGRSA-N
InChI=1S/C13H19N3O5S2/c1-9-8-23(20,21)5-4-15(9)16-6-10(2-3-12(16)17)22-7-11(14)13(18)19/h2-3,6,9,11H,4-5,7-8,14H2,1H3,(H,18,19)/t9?,11-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(2R)-2-AMINO-3-((1-(3-METHYL-1,1-DIOXO-1,4-THIAZINAN-4-YL)-6-OXO-3-PYRIDYL)SULFANYL)PROPANOIC ACID
Systematic Name English
NIFURTIMOX METABOLITE M-4
Preferred Name English
Code System Code Type Description
FDA UNII
HD16R816PW
Created by admin on Wed Apr 02 10:00:37 GMT 2025 , Edited by admin on Wed Apr 02 10:00:37 GMT 2025
PRIMARY
PUBCHEM
165412066
Created by admin on Wed Apr 02 10:00:37 GMT 2025 , Edited by admin on Wed Apr 02 10:00:37 GMT 2025
PRIMARY
PARENT (METABOLITE INACTIVE)
Structure of NIFURTIMOX
NIH
NCATS
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