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hydroxy torasemide

Properties

Image

Occurences in reactions

MNX_ID

MNXM1102062

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	6

formula

C₁₆H₂₀N₄O₄S

charge

mass

364.12053

reference

InChIKey

WCYVLAMJCQZUCR-UHFFFAOYSA-N

InChI

InChI=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)

SMILES

CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(CO)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:155897 chebi:155897	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	Torasemide-M1
envipath:...b1141a727193 envipathM:...b1141a727193	compound 0053957
hmdb:HMDB0060982	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