羟基伊曲康唑(伊曲康唑代谢物) ,112559-91-8 _ChemCD

羟基伊曲康唑(伊曲康唑代谢物)

basic_info
Product_Name：	羟基伊曲康唑(伊曲康唑代谢物)
CAS：	112559-91-8
中文同义词：	羟基伊曲康唑(伊曲康唑代谢物)
EnglishSynonyms：	HYDROXY ITRACONAZOLE ; 4-[4-[4-[4-[[2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY]PHENYL]-1-PIPERAZINYL]PHENYL]-2,4-DIHYDRO-2-(2-HYDROXY-1-METHYLPROPYL)-3H-1,2,4-TRIAZOL-3-ONE ; HYDROXYITRACONAZOLE
pro_mdlNumber：	MFCD00871966
pro_acceptors：	12
pro_donors：	1
pro_smile：	CCC(C)N1C(N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OCC5COC(O5)(Cn6cncn6)c7ccc(cc7Cl)Cl)O
InChi：	InChI=1S/C35H40Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31,34,46H,3,14-17,19-21H2,1-2H3
InChiKey：	InChIKey=KHDVLIXZARJRJG-UHFFFAOYSA-N
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