CAS 157212-55-0 Bosentan Hydrate - Analytical Products / Alfa Chemistry

CAT	APS157212550
CAS	157212-55-0
Structure
MDL Number	MFCD09751188
Synonyms	Bosentan monohydrate,Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-, hydrate (1:1), Bosentan hydrate, Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-, monohydrate (9CI)
IUPAC Name	4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate
Molecular Weight	569.63
Molecular Formula	C27H29N5O6S.H2O
Canonical SMILES	O.COc1ccccc1Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4
InChI	InChI=1S/C27H29N5O6S.H2O/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24
InChI Key	SXTRWVVIEPWAKM-UHFFFAOYSA-N