BOSENTAN HYDRATE

CAS号
157212-55-0 ;1196074-08-4
CCD编号
CCD00781927
分子式
C27 H29 N5 O6 S . H2 O
分子量
569.636

基本信息

产品名称: BOSENTAN HYDRATE
CAS: 157212-55-0 ;1196074-08-4
英文同义词: BOSENTAN HYDRATE ; 4-(TERT-BUTYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)-[2,2'-BIPYRIMIDIN]-4-YL)BENZENESULFONAMIDE HYDRATE ; TRACLEER MONOHYDRATE ; BOSENTAN (HYDRATE) ; BOSENTAN MONOHYDRATE
MDL号: MFCD09751188
氢键受体数量: 11
氢键供体数量: 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

性质

安全信息

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