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Chemical structure of Nebentan potassium

GC61118

Nebentan potassium

Also known as potassium [6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-[(E)-2-phenylethenyl]sulfonylazanide

Nebentan potassium (YM598) is a potent, selective and orally active non-peptide endothelin ETA receptor antagonist through the modification of Bosentan

ChemicalCAS342005-82-7MW529.61FormulaC24H20KN5O5S
CAS number
342005-82-7
Molecular weight
529.61
Formula
C24H20KN5O5S
Solubility
DMSO： 125 mg/mL (236·02 mM)
InChIKey
WOPWEXSDEXIRNG-ZUQRMPMESA-N
Catalogue number
GC61118
Brand
GLPBIO
Computed properties PubChem CID 12093171 · TPSA 123 Ų · H-bond donors 0 · H-bond acceptors 10
TPSA
123 Ų
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
36

SMILES COC1=CC=CC=C1OC2=C(N=C(N=C2OC)C3=NC=CC=N3)[N-]S(=O)(=O)/C=C/C4=CC=CC=C4.[K+]

Computed descriptors from PubChem (CID 12093171), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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