Basic Information |
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Product Name: | 2,2'-BISNALMEFENE |
CAS: | 176220-84-1 |
English Synonyms: | 2,2'-BISNALMEFENE |
MDL Number.: | MFCD18252414 |
H bond acceptor: | 8 |
H bond donor: | 4 |
Smile: | C=C1CC[C@]2([C@H]3Cc4cc(c(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)c7cc8c9c(c7O)O[C@@H]1[C@]92CCN([C@H](C8)[C@@]2(CCC1=C)O)CC1CC1)O |
InChi: | InChI=1S/C42H48N2O6/c1-21-7-9-41(47)29-17-25-15-27(33(45)35-31(25)39(41,37(21)49-35)11-13-43(29)19-23-3-4-23)28-16-26-18-30-42(48)10-8-22(2)38-40(42,32(26)36(50-38)34(28)46)12-14-44(30)20-24-5-6-24/h15-16,23-24,29-30,37-38,45-48H,1-14,17-20H2/t29-,30-,37+,38+,39+,40+,41-,42-/m1/s1 |
InChiKey: | InChIKey=DEKUTJDLMXTWRE-CVQRZJKKSA-N |
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