ITRACONAZOLE ,84625-61-6 _Chemical Cloud Database

ITRACONAZOLE

Basic Information
Product Name：	ITRACONAZOLE
CAS：	84625-61-6
English Synonyms：	ITRACONAZOLE ; SPORANOX
MDL Number.：	MFCD00941396
H bond acceptor：	12
H bond donor：	0
Smile：	CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
InChi：	InChI=1S/C35H38Cl2N8O4/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/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1
InChiKey：	InChIKey=VHVPQPYKVGDNFY-ZPGVKDDISA-N

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