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89451

Millipore

Heptakis(3-O-acetyl-2,6-di-O-methyl)-β-cyclodextrin

suitable for GC

Synonym(s):

3-O-Acetyl-2,6-di-O-methyl-β-cyclodextrin

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About This Item

Empirical Formula (Hill Notation):
C70H112O42
CAS Number:
131889-29-7
Molecular Weight:
1625.61
MDL number:
MFCD00210126
UNSPSC Code:
12161700
PubChem Substance ID:
329769737
NACRES:
NB.21

technique(s)

gas chromatography (GC): suitable

Quality Level

100

mp

110-125 °C

solubility

acetone: soluble
chloroform: soluble

SMILES string

CO[C@@H]1[C@@H](OC(C)=O)[C@H](O[C@@H](O[C@@H]2COC)[C@H](OC)[C@@H](OC(C)=O)[C@@H]2O[C@@H](O[C@@H]3COC)[C@H](OC)[C@@H](OC(C)=O)[C@@H]3O[C@@H](O[C@@H]4COC)[C@H](OC)[C@@H](OC(C)=O)[C@@H]4O[C@H]5O[C@@H]6COC)[C@@H](COC)O[C@@H]1O[C@H]([C@@H](COC)O7)[C@H](OC(C)=O

InChI

1S/C70H112O42/c1-29(71)92-50-43-36(22-78-8)99-64(57(50)85-15)107-44-37(23-79-9)101-66(59(87-17)51(44)93-30(2)72)109-46-39(25-81-11)103-68(61(89-19)53(46)95-32(4)74)111-48-41(27-83-13)105-70(63(91-21)55(48)97-34(6)76)112-49-42(28-84-14)104-69(62(90-20)56(49)98-35(7)77)110-47-40(26-82-12)102-67(60(88-18)54(47)96-33(5)75)108-45-38(24-80-10)100-65(106-43)58(86-16)52(45)94-31(3)73/h36-70H,22-28H2,1-21H3/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

InChI key

KCGPTTRGLYIRNO-DCBUKTJTSA-N

General description

Heptakis(3-O-acetyl-2,6-di-O-methyl)-β-cyclodextrin is a hydrophilic derivative of cyclodextrin (CyD). CyDs are cyclic oligosaccharides typically composed of six to eight glucose units. Heptakis(3-O-acetyl-2,6-di-O-methyl)-β-cyclodextrin finds application as a drug carrier that improves the low solubility, dissolution rate as well as the bioavailability of poorly water-soluble drugs.[1][2]

Other Notes

Stationary phase for the GC separation of enantiomers[3]

Storage Class

13 - Non Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Inhibitory effects of 2, 6-di-O-methyl-3-O-acetyl-β-cyclodextrins with various degrees of substitution of acetyl group on macrophage activation and endotoxin shock induced by lipopolysaccharide.
Motoyama K, et al.
Journal of Inclusion Phenomena and Macrocyclic Chemistry, 56(1-2), 75-79 (2006)
Heptakis (2, 6-di-O-methyl-3-O-acetyl)-β-cyclodextrin: A Water-Soluble cyclodextrin derivative with low hemolytic activity.
Hirayama F, et al.
Journal of Pharmaceutical Sciences, 88(10), 970-975 (1999)
G. Stoev
Journal of Chromatography A, 589, 257-257 (1992)

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