Basic Information |
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Product Name: | 6A-DEOXY-6A-[[3-(DIMETHYLAMINO)PROPYL]AMINO]-BETA-CYCLODEXTRIN |
CAS: | 337364-86-0 |
English Synonyms: | 6A-DEOXY-6A-[[3-(DIMETHYLAMINO)PROPYL]AMINO]-BETA-CYCLODEXTRIN |
MDL Number.: | MFCD22200978 |
H bond acceptor: | 36 |
H bond donor: | 21 |
Smile: | CN(C)CCCNC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O |
InChi: | InChI=1S/C47H82N2O34/c1-49(2)5-3-4-48-6-13-34-20(56)27(63)41(70-13)78-35-14(7-50)72-43(29(65)22(35)58)80-37-16(9-52)74-45(31(67)24(37)60)82-39-18(11-54)76-47(33(69)26(39)62)83-40-19(12-55)75-46(32(68)25(40)61)81-38-17(10-53)73-44(30(66)23(38)59)79-36-15(8-51)71-42(77-34)28(64)21(36)57/h13-48,50-69H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m1/s1 |
InChiKey: | InChIKey=RPHSZXYCLVFPQT-PVBMWYCHSA-N |
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