basic_info |
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Product_Name: | CAPTISOL |
CAS: | 182410-00-0 |
EnglishSynonyms: | SODIUM SULPHOBUTYLETHER-BETA-CYCLODEXTRIN ; BETA-CYCLODEXTRIN, SULFOBUTYL ETHER, SODIUM SALT ; BETA.-CYCLODEXTRIN, SULFOBUTYL ETHERS, SODIUM SALTS ; CAPTISOL ; SULFOBUTYL ETHER BETACYCLODEXTRIN SODIUM |
pro_mdlNumber: | MFCD01940876 |
pro_acceptors: | 37 |
pro_donors: | 19 |
pro_smile: | C[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)COCCCCS(=O)(=O)[O-])CO)CO)CO)CO)CO)O)O.[Na+] |
InChi: | InChI=1S/C46H78O37S.Na/c1-12-33-19(52)26(59)40(70-12)78-34-13(6-47)71-41(27(60)20(34)53)79-35-14(7-48)72-42(28(61)21(35)54)80-36-15(8-49)73-43(29(62)22(36)55)81-37-16(9-50)74-44(30(63)23(37)56)82-38-17(10-51)75-45(31(64)24(38)57)83-39-18(76-46(77-33)32(65)25(39)58)11-69-4-2-3-5-84(66,67)68;/h12-65H,2-11H2,1H3,(H,66,67,68);/q;+1/p-1/t12-,13-,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-;/m1./s1 |
InChiKey: | InChIKey=VPQMUOFXELQOMM-JAFIQQQWSA-M |
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