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Structure

Hydroxy desmethyl bosentan

CAS
253688-62-9
Catalog Number
ACM253688629
Category
Other Products
Molecular Weight
553.59
Molecular Formula
C26H27N5O7S

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Specification

Synonyms
4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide;
IUPAC Name
N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
Canonical SMILES
CC(C)(CO)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4O
InChI Key
JXXCMZWROOURSZ-UHFFFAOYSA-N
Boiling Point
782ºC at 760 mmHg
Flash Point
426.7ºC
Density
1.426g/cm³
Appearance
Yellow Solid
Exact Mass
553.16300
H-Bond Acceptor
12
H-Bond Donor
4
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