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hydroxy torasemide

PropertiesImage
MNX_IDMNXM1102062 Image of MNXM1102062
referencechebi:155897
formulaC16H20N4O4S
global charge0
mol weight364.427
InChIKeyWCYVLAMJCQZUCR-UHFFFAOYSA-N
InChIInChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22)
SMILESCC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC(CO)=CC=C2)C=CN=C1
MNX internals
InChI (mnx)InChI=1/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22) Image of MNXM1102062
SMILES (mnx)[CH3:1][CH:11]([CH3:2])[N:18]=[C:16]([NH:20][S:25]([C:15]1=[CH:9][NH:17][CH:7]=[CH:6][C:14]1=[N:19][C:13]1=[CH:5][CH:3]=[CH:4][C:12]([CH2:10][OH:21])=[CH:8]1)(=[O:23])=[O:24])[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:155897
chebi:155897
WCYVLAMJCQZUCR-UHFFFAOYSA-N 		hydroxy torasemide
1-[[4-[3-(hydroxymethyl)anilino]-3-pyridyl]sulfonyl]-3-isopropylurea
4-[3-(hydroxymethyl)anilino]-N-(propan-2-ylcarbamoyl)pyridine-3-sulfonamide
N-(isopropylcarbamoyl)-4-[3-(hydroxymethyl)phenylamino]-3-pyridinesulfonamide
hydroxy torsemide
hydroxytorasemide
hydroxytorsemide
torasemide M1

bigg.metabolite:tmdm1
biggM:tmdm1
WCYVLAMJCQZUCR-UHFFFAOYSA-N 		Torasemide-M1

envipath:...b1141a727193
envipathM:...b1141a727193
WCYVLAMJCQZUCR-UHFFFAOYSA-N 		compound 0053957
hmdb:HMDB0060982
WCYVLAMJCQZUCR-UHFFFAOYSA-N 		hydroxytorsemide
N-(4-{[3-(hydroxymethyl)phenyl]imino}-1H-pyridin-3-ylsulfonyl)propane-2-carbamimidic acid
N-[(4-{[3-(hydroxymethyl)phenyl]imino}-1,4-dihydropyridin-3-yl)sulfonyl]propane-2-carbamimidic acid

hmdb:HMDB60982
biggM:M_tmdm1 		secondary/obsolete/fantasy identifier