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Details

Stereochemistry EPIMERIC
Molecular Formula C13H19N3O5S2
Molecular Weight 361.4397
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NIFURTIMOX METABOLITE M-4

SMILES

CC1([H])CS(=O)(=O)CCN1n2cc(ccc2=O)SC[C@@]([H])(C(=O)O)N

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

Molecular Formula C13H19N3O5S2
Molecular Weight 361.4397
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:56:37 UTC 2021
Edited
by admin
on Sat Jun 26 12:56:37 UTC 2021
Record UNII
HD16R816PW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NIFURTIMOX METABOLITE M-4
Common Name English
(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
Code System Code Type Description
FDA UNII
HD16R816PW
Created by admin on Sat Jun 26 12:56:37 UTC 2021 , Edited by admin on Sat Jun 26 12:56:37 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR
PLASMA
PARENT -> METABOLITE
IN FASTED STATE
URINE
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC SINGLE DOSE

Biological Half-life PHARMACOKINETIC SINGLE DOSE