MITRATAPIDE ,179602-65-4 _Chemical Cloud Database

MITRATAPIDE

Basic Information
Product Name：	MITRATAPIDE
CAS：	179602-65-4 ;179407-12-6
English Synonyms：	MITRATAPIDE ; 2-[(2R)-BUTAN-2-YL]-4-[4-[4-[4-[[(2S,4R)-2-(4-CHLOROPHENYL)-2-[(4-METHYL-1,2,4-TRIAZOL-3-YL)SULFANYLMETHYL]-1,3-DIOXOLAN-4-YL]METHOXY]PHENYL]PIPERAZIN-1-YL]PHENYL]-1,2,4-TRIAZOL-3-ONE ; MITRATAPID
MDL Number.：	MFCD09837786
H bond acceptor：	12
H bond donor：	0
Smile：	CC[C@@H](C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@@H]5CO[C@@](O5)(CSc6nncn6C)c7ccc(cc7)Cl
InChi：	InChI=1S/C36H41ClN8O4S/c1-4-26(2)45-35(46)44(25-39-45)31-11-9-29(10-12-31)42-17-19-43(20-18-42)30-13-15-32(16-14-30)47-21-33-22-48-36(49-33,27-5-7-28(37)8-6-27)23-50-34-40-38-24-41(34)3/h5-16,24-26,33H,4,17-23H2,1-3H3/t26-,33-,36-/m1/s1
InChiKey：	InChIKey=HQSRVYUCBOCBLY-XOOFNSLWSA-N

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