BOSENTAN HYDRATE ,1196074-08-4 _Chemical Cloud Database

BOSENTAN HYDRATE

Basic Information
Product Name：	BOSENTAN HYDRATE
CAS：	1196074-08-4 ;157212-55-0
English Synonyms：	4-(TERT-BUTYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)-[2,2'-BIPYRIMIDIN]-4-YL)BENZENESULFONAMIDE HYDRATE ; TRACLEER MONOHYDRATE ; BOSENTAN HYDRATE ; BOSENTAN (HYDRATE) ; BOSENTAN MONOHYDRATE
MDL Number.：	MFCD09751188
H bond acceptor：	11
H bond donor：	2
Smile：	CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC.O
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;/h5-15,33H,16-17H2,1-4H3,(H,30,31,32);1H2
InChiKey：	InChIKey=SXTRWVVIEPWAKM-UHFFFAOYSA-N
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