Hydroxy Torsemide

Base Information

• Chemical Name: Hydroxy Torsemide
• CAS No.: 99300-68-2
• Molecular Formula: C₁₆H₂₀N₄O₄S
• Molecular Weight: 364.425
• UNII: JP35BY96VZ
• DSSTox Substance ID: DTXSID70560767
• Nikkaji Number: J1.688.544D
• Mol file: 99300-68-2.mol

Synonyms:Hydroxy Torsemide;99300-68-2;hydroxytorsemide;JP35BY96VZ;AC3534;UNII-JP35BY96VZ;AC-3534;1-[4-[3-(hydroxymethyl)anilino]pyridin-3-yl]sulfonyl-3-propan-2-ylurea;3-Pyridinesulfonamide, 4-((3-(hydroxymethyl)phenyl)amino)-N-(((1-methylethyl)amino)carbonyl)-;4-((3-(Hydroxymethyl)phenyl)amino)-N-(((1-methylethyl)amino)carbonyl)-3-pyridinesulfonamide;4-[[3-(Hydroxymethyl)phenyl]amino]-N-[[(1-methylethyl)amino]carbonyl]-3-pyridinesulfonamide;hydroxytorasemide;torasemide M1;hydroxy torasemide;AC 3534;DTXSID70560767;CHEBI:155897;1-[[4-[3-(Hydroxymethyl)anilino]-3-pyridyl]sulfonyl]-3-isopropylurea;Torasemide metabolite M1 (hydroxytorsemide);NS00009258;4-((3-(Hydroxymethyl)phenyl)amino)-N-(isopropylcarbamoyl)pyridine-3-sulfonamide;4-[3-(hydroxymethyl)anilino]-N-(propan-2-ylcarbamoyl)pyridine-3-sulfonamide;4-[3-(Hydroxymethyl)anilino]-N-[(propan-2-yl)carbamoyl]pyridine-3-sulfonamide;N-(isopropylcarbamoyl)-4-[3-(hydroxymethyl)phenylamino]-3-pyridinesulfonamide

Chemical Property of Hydroxy Torsemide

Chemical Property:

• Melting Point: 159-161°C
• PSA: 135.52000
• LogP: 2.81180
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 364.12052631
• Heavy Atom Count: 25
• Complexity: 535

Purity/Quality:

97% ^*data from raw suppliers

Hydroxy torsemide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)CO

Technology Process of Hydroxy Torsemide

There total 2 articles about Hydroxy Torsemide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

torasemide (56211-40-6) → 4-Hydroxytorsemide (99300-67-1) + 3-Hydroxymethyltorsemide (99300-68-2)

Guidance literature:

With air; human liver microsomes; NADPH-generating system; In phosphate buffer; at 37 ℃; for 0.333333h; pH=7.4; Further Variations:; Reagents; Enzyme kinetics;

Reference yield:

torasemide (56211-40-6) → 4-Hydroxytorsemide (99300-67-1) + 3-Hydroxymethyltorsemide (99300-68-2) + 3-Carboxy-Torasemide

Guidance literature:

Rate constant; Product distribution; metabolism;

upstream raw materials:

torasemide

Refernces

• 1、 Neugebauer,Besenfelder,von Moellendorff. "Pharmacokinetics and metabolism of torasemide in man.". . p. 164 - 166. Retrieved 2007/10/02.