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CHEBI:233221 - sulfobutylether-beta-cyclodextrin

ChEBI IDCHEBI:233221
ChEBI Namesulfobutylether-beta-cyclodextrin
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FormulaC46H77O37S.Na
Net Charge0
Average Mass1277.142
Monoisotopic Mass1276.37621
SMILESCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(COCCCCS(=O)(=O)[O-])OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O.[Na+]
InChIInChI=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
InChIKeyVPQMUOFXELQOMM-UHFFFAOYSA-M
Roles Classification
Application:
excipient  A generally pharmacologically inactive substance that is formulated with the active ingredient of a medication.
ChEBI Ontology
Outgoing Relation(s)
sulfobutylether-beta-cyclodextrin (CHEBI:233221) has role excipient (CHEBI:75324)
sulfobutylether-beta-cyclodextrin (CHEBI:233221) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
sodium;4-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30-pentakis(hydroxymethyl)-35-methyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methoxy]butane-1-sulfonate
Synonym  Source
sulfobutylether-β-cyclodextrinSUBMITTER
Manual XrefsDatabases
DB18607DrugBank
Citations