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Substance Name: beta-Cyclodextrin sulfobutyl ether
RN: 165133-56-2
UNII: H1HJ8WR7WG
InChIKey: PVPBHKCSQBLDEW-ZQOBQRRWSA-N

Molecular Formula

  • C42-H49-O35.7C4-H9-O3-S.14H

Molecular Weight

  • 1289.165
 
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Names and Synonyms

Name of Substance

  • beta-Cyclodextrin sulfobutyl ether

Synonyms

  • beta-Cyclodextrin sulfobutyl ether
  • beta-Cyclodextrin sulfobutyl ether [MI]
  • Heptakis-O-(4-sulfobutyl)-beta-cyclodextrin
  • Sulfobutylether beta-cyclodextrin free acid
  • UNII-H1HJ8WR7WG

Registry Numbers

CAS Registry Number

  • 165133-56-2

FDA UNII

  • H1HJ8WR7WG

System Generated Number

  • 0165133562

Structure Descriptors

InChI

1S/C42H70O35.C4H10O4S/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;5-3-1-2-4-9(6,7)8/h8-63H,1-7H2;5H,1-4H2,(H,6,7,8)/t8-,9-,10-,11-,12-,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-;/m1./s1

InChIKey

PVPBHKCSQBLDEW-ZQOBQRRWSA-N

Smiles

OCCCCS(=O)(=O)O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]1[C@H](O)[C@H]2O