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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H70O35
Molecular Weight 1134.9842
Optical Activity UNSPECIFIED
Defined Stereocenters 35 / 35
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETADEX

SMILES

[H][C@@]12O[C@H](CO)[C@@]([H])(O[C@@]3([H])O[C@H](CO)[C@@]([H])(O[C@@]4([H])O[C@H](CO)[C@@]([H])(O[C@@]5([H])O[C@H](CO)[C@@]([H])(O[C@@]6([H])O[C@H](CO)[C@@]([H])(O[C@@]7([H])O[C@H](CO)[C@@]([H])(O[C@@]8([H])O[C@H](CO)[C@@]([H])(O1)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O

InChI

InChIKey=WHGYBXFWUBPSRW-FOUAGVGXSA-N
InChI=1S/C42H70O35/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/h8-63H,1-7H2/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

HIDE SMILES / InChI

Molecular Formula C42H70O35
Molecular Weight 1134.9842
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 35 / 35
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Betadex is a nonreducing cyclic compound composed of seven alpha-(1-4) linked D-glucopyranosyl units. It is a pharmacologically inactive substance. Betadex is useful for stabilizing, solubilizing or delivering intermediate size molecules. Cyclodextrins are cyclic oligosaccharides that have been used to modulate the composition of cholesterol and other lipids in biological membranes and have also been used as pharmaceutical excipients in the formulation of hydrophobic drugs. More recently, 2-Hydroxypropyl-β-cyclodextrins (HPβCDs) have gained attention as a potential therapeutic intervention for Niemann-Pick Disease Type C1 (NPC1) disease. HPβCDs are complex mixtures of different species, and variations in production may lead to differences in composition. 2-Hydroxypropyl-β-cyclodextrin dose-dependent effects against dysfunctional intracellular cholesterol trafficking in NPC1 cells.

CNS Activity

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Inactive ingredient
Brexidol
Inactive ingredient
Unknown
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
15000, 2000 and 2500 mg/kg slow infusion for 8h every 2 weeks.
Route of Administration: Intravenous
In Vitro Use Guide
Treatment of Chinese hamster ovary cells with 2-hydroxypropyl-β-cyclodextrin induced a decrease in cell viability in a dosedependent manner. Significant cytotoxicity was observed in cells treated with ≥50 mM 2-hydroxypropyl-β-cyclodextrin.
Substance Class Chemical
Record UNII
JV039JZZ3A
Record Status Validated (UNII)
Record Version