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Details

Stereochemistry EPIMERIC
Molecular Formula C14H23N3O6S2
Molecular Weight 393.4816
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NIFURTIMOX METABOLITE M-8

SMILES

CC1([H])CS(=O)(=O)CCN1/N=C(\[H])/C(=O)CCSC[C@@]([H])(C(=O)O)N=C(C)O

InChI

InChIKey=VMJPACANYZLDSX-VVQUDCGKSA-N
InChI=1S/C14H23N3O6S2/c1-10-9-25(22,23)6-4-17(10)15-7-12(19)3-5-24-8-13(14(20)21)16-11(2)18/h7,10,13H,3-6,8-9H2,1-2H3,(H,16,18)(H,20,21)/b15-7+/t10?,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H23N3O6S2
Molecular Weight 393.4816
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 01:32:57 UTC 2021
Edited
by admin
on Sat Jun 26 01:32:57 UTC 2021
Record UNII
GR9A2C3NUO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NIFURTIMOX METABOLITE M-8
Common Name English
(2R)-2-ACETAMIDO-3-((4E)-4-((3-METHYL-1,1-DIOXO-1,4-THIAZINAN-4-YL)IMINO)-3-OXO-BUTYL)SULFANYL-PROPANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
GR9A2C3NUO
Created by admin on Sat Jun 26 01:32:57 UTC 2021 , Edited by admin on Sat Jun 26 01:32:57 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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