RALOXIFENE 6,4'-BIS-BETA-D-GLUCURONIDE

CAS No.
182507-20-6
CCD No.
CCD02383995
Formula
C40 H43 N O16 S
MolWeight
825.837

Basic Information

Product Name: RALOXIFENE 6,4'-BIS-BETA-D-GLUCURONIDE
CAS: 182507-20-6
English Synonyms: RALOXIFENE 6,4'-BIS-BETA-D-GLUCURONIDE ; RALOXIFENE 4',6-BIS-BETA-D-GLUCURONIDE
MDL Number.: MFCD15145095
H bond acceptor: 17
H bond donor: 8
Smile: c1cc(ccc1c2c(c3cc(ccc3s2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C(=O)c5ccc(cc5)OCCN6CCCCC6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O
InChi: InChI=1S/C40H43NO16S/c42-27(19-4-8-21(9-5-19)53-17-16-41-14-2-1-3-15-41)26-24-18-23(55-40-33(48)29(44)31(46)35(57-40)38(51)52)12-13-25(24)58-36(26)20-6-10-22(11-7-20)54-39-32(47)28(43)30(45)34(56-39)37(49)50/h4-13,18,28-35,39-40,43-48H,1-3,14-17H2,(H,49,50)(H,51,52)/t28-,29-,30-,31-,32+,33+,34-,35-,39+,40+/m0/s1
InChiKey: InChIKey=PATGTLHTGJEFAD-SLTHDDBBSA-N

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