ChemicalBook--->CAS DataBase List--->174227-14-6

174227-14-6

174227-14-6 Structure

174227-14-6 Structure
IdentificationBack Directory
[Name]

BenzenesulfonaMide, N-[1,6-dihydro-5-(2-Methoxyphenoxy)-6-oxo[2,2'-bipyriMidin]-4-yl]-4-(1,1-diMethylethyl)-
[CAS]

174227-14-6
[Synonyms]

Bosentan USP RC B
Bosentan IMpurity D
O-Deshydroxyethyl Bosentan
Bosentan Related CoMpound B
Bosentan USP Related Compound B
Bosentan Related Compound B (O-Deshydroxyethyl Bosentan)
4-(tert-butyl)-N-(6-hydroxy-5-(2-methoxyphenoxy)-[2,2-bipyrimidin]-4-yl)benzenesulfonamide
p-tert-butyl-N-[6-(hydroxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzene sulfonamide
N-[1,6-Dihydro-5-(2-methoxyphenoxy)-6-oxo[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)benzenesulfonamide
BenzenesulfonaMide, N-[1,6-dihydro-5-(2-Methoxyphenoxy)-6-oxo[2,2'-bipyriMidin]-4-yl]-4-(1,1-diMethylethyl)-
Bosentan Related Compound B (4-(tert-butyl)-N-[6-hydroxy-5-(2-methoxyphenoxy)-(2,2''-bipyrimidin)-4- (1076137)
Bosentan USP Related Compound B: 4-(tert-Butyl)-N-[6-hydroxy-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl]benzenesulfonamide
Bosentan Related Compound B (15 mg) (4-(tert-butyl)-N-[6-hydroxy-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl]benzenesulfonamide)
[Molecular Formula]

C25H25N5O5S
[MDL Number]

MFCD25977341
[MOL File]

174227-14-6.mol
[Molecular Weight]

507.56
Chemical PropertiesBack Directory
[Melting point ]

>218°C (dec.)
[Boiling point ]

690.0±65.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.48±0.50(Predicted)
[color ]

Pale Beige to Light Beige
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C25H25N5O5S/c1-25(2,3)16-10-12-17(13-11-16)36(32,33)30-21-20(35-19-9-6-5-8-18(19)34-4)24(31)29-23(28-21)22-26-14-7-15-27-22/h5-15H,1-4H3,(H2,28,29,30,31)
[InChIKey]

REEANFGHAAWSIZ-UHFFFAOYSA-N
[SMILES]

[S](=O)(=O)(Nc2nc(nc(c2Oc4c(cccc4)OC)O)c3ncccn3)c1ccc(cc1)C(C)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[WGK Germany ]

WGK 3
[HS Code ]

2935909550
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

O-Deshydroxyethyl Bosentan (Bosentan USP Related Compound B) is an impurity of Bosentan (B675900); a mixed endothelin receptor antagonist. Used as a vasodilator and antihypertensive.
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