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DESMETHYLBOSENTAN

DESMETHYLBOSENTAN structure

CAS No:
253688-61-8
Formula:
C26H27N5O6S
Chemical Name:
DESMETHYLBOSENTAN
Synonyms:
4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)[2,2bipyrimidin]-4-yl]benzenesulfonamide;Bosentan O-DesMethyl IMpurity;O-Desmethyl Bosentan;Bosentan O-Desmethyl-Imp;Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)[2,2'-bipyrimidin]-4-yl]-

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DESMETHYLBOSENTAN Basic Attributes

Molecular Weight：

537.59

Exact Mass：

537.16820477

UNII：

N373R7N42R

DSSTox ID：

DTXSID10423786

Characteristics

PSA：

165.03000

XLogP3：

5.05470

Density：

1.376±0.06 g/cm3

Boiling Point：

739.2±70.0 °C(Predicted)

PKA：

3.92±0.10

Drug Information

Metabolism/Metabolites：

4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-[2,2-]bipyrimidinyl-4-yl]-benzenesulfonamide is a known human metabolite of bosentan.

DESMETHYLBOSENTAN Use and Manufacturing

DESMETHYL BOSENTAN is a metabolite of Bosentan, a mixed endothelin receptor antagonist which is used as a vasodilator

Computed Properties

Molecular Weight:537.6
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:537.16820477
Monoisotopic Mass:537.16820477
Topological Polar Surface Area:165
Heavy Atom Count:38
Complexity:823
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: ethoxide; subtrochanteric fracture; ammonium carbonate; ammonium sulfide formula; barium bromide; bromide formula

Guide of DESMETHYLBOSENTAN

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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