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Substance Name: Heptakis(2,6-diethyl)beta-cyclodextrin
RN: 111689-03-3
InChIKey: PLHMLIDUVYHXHF-ZQSHRCRISA-N

Note

  • Used as a sustained-release carrier for isosorbide dinitrate.

Molecular Formula

  • C70-H126-O35

Molecular Weight

  • 1527.73
 
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Names and Synonyms

Name of Substance

  • Heptakis(2,6-diethyl)beta-cyclodextrin

Synonyms

  • 2,6-Di-O-ethyl-beta-cyclodextrin
  • DE-beta-Cyd
  • Diethyl-beta-cyclodextrin
  • Heptakis(2,6-di-O-ethyl)-beta-cyclodextrin

Systematic Name

  • beta-Cyclodextrin, 2A,2B,2C,2D,2E,2F,2G,6A,6B,6C,6D,6E,6F,6G-tetradeca-O-ethyl-

Registry Numbers

CAS Registry Number

  • 111689-03-3

System Generated Number

  • 0111689033

Structure Descriptors

InChI

1S/C70H126O35/c1-15-78-29-36-50-43(71)57(85-22-8)64(92-36)100-51-37(30-79-16-2)94-66(59(44(51)72)87-24-10)102-53-39(32-81-18-4)96-68(61(46(53)74)89-26-12)104-55-41(34-83-20-6)98-70(63(48(55)76)91-28-14)105-56-42(35-84-21-7)97-69(62(49(56)77)90-27-13)103-54-40(33-82-19-5)95-67(60(47(54)75)88-25-11)101-52-38(31-80-17-3)93-65(99-50)58(45(52)73)86-23-9/h36-77H,15-35H2,1-14H3/t36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m1/s1

InChIKey

PLHMLIDUVYHXHF-ZQSHRCRISA-N

Smiles

O1[C@H](COCC)[C@H]2O[C@H]3O[C@@H]([C@H]([C@@H](O)[C@H]3OCC)O[C@H]3O[C@H](COCC)[C@@H](O[C@H]4O[C@@H]([C@H]([C@@H]([C@H]4OCC)O)O[C@H]4O[C@@H]([C@H]([C@@H]([C@H]4OCC)O)O[C@@H]4[C@H](OCC)[C@@H](O)[C@@H]([C@H](COCC)O4)O[C@@H]4[C@H](OCC)[C@@H](O)[C@@H]([C@H](COCC)O4)O[C@@H]1[C@@H]([C@H]2O)OCC)COCC)COCC)[C@@H](O)[C@H]3OCC)COCC