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Fexinidazole Sulfone

PropertiesImage
MNX_IDMNXM1509899 Image of MNXM1509899
referencehmdb:HMDB0252241
formulaC12H13N3O5S
global charge0
mol weight311.319
InChIKeyYMIAMMYJWRZXIX-UHFFFAOYSA-N
InChIInChI=1S/C12H13N3O5S/c1-14-11(13-7-12(14)15(16)17)8-20-9-3-5-10(6-4-9)21(2,18)19/h3-7H,8H2,1-2H3
SMILESCn1c([N+](=O)[O-])cnc1COc1ccc(S(C)(=O)=O)cc1
MNX internals
InChI (mnx)InChI=1/C12H13N3O5S/c1-14-11(13-7-12(14)15(16)17)8-20-9-3-5-10(6-4-9)21(2,18)19/h3-7H,8H2,1-2H3 Image of MNXM1509899
SMILES (mnx)[CH3:1][n:14]1[c:11]([CH2:8][O:20][c:9]2[cH:3][cH:5][c:10]([S:21]([CH3:2])(=[O:18])=[O:19])[cH:6][cH:4]2)[n:13][cH:7][c:12]1[N+:15](=[O:16])[O-:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0252241
YMIAMMYJWRZXIX-UHFFFAOYSA-N 		Fexinidazole Sulfone
2-(4-methanesulfonylphenoxymethyl)-1-methyl-5-nitroimidazole
2-[(4-methanesulfonylphenoxy)methyl]-1-methyl-5-nitro-1H-imidazole
Fexinidazole sulphone

vmhM:fxndzlsone
vmhM:fxndzlsone
vmhmetabolite:fxndzlsone
vmhmetabolite:fxndzlsone
YMIAMMYJWRZXIX-UHFFFAOYSA-N 		Fexinidazole sulfone

vmhM:M_fxndzlsone 		secondary/obsolete/fantasy identifier