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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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 35 / 35
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: https://www.ncbi.nlm.nih.gov/pubmed/27184436 | https://www.drugs.com/inactive/betadex-21.html | http://www.drugfuture.com/pharmacopoeia/usp32/pub/data/v32270/usp32nf27s0_m8744.html

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

1963
70
Targets

Targets

Primary TargetPharmacologyConditionPotency
Modulator
828
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Inactive ingredient
Approved
8429
Brexidol

Approved Use

Brexidol (piroxicam-beta-cyclodextrin) is a product indicated for the treatment of mild to severe acute pain.

Launch Date

9.2041917E11
Inactive ingredient
Preclinical
Unknown

Approved Use

Unknown
Primary
Phase II
1132
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Arsenite induces apoptosis of murine T lymphocytes through membrane raft-linked signaling for activation of c-Jun amino-terminal kinase.
2000 Oct 15
Patents

Patents

JP2000023665A
1
JP2000023666A
1
JP2000116337A
1
JP2000178530A
1
JP2001271012A
1
JP2001334455A
1
JP2002543243A
3
JP2003238402A
1
JP2003522104A
1
JP2004008150A
1
JP2004083723A
1
JP2004134539A
1
JP2004267186A
1
JP2004357503A
1
JP2005120052A
1
JP2005176611A
1
JP2006008684A
1
JP2006182777A
1
JP2006334573A
1
JP2006522670A
1
JP2007269716A
1
JP2007312790A
1
JP2008044904A
1
JP2008161133A
1
JP2008239507A
1
JP2008271836A
1
JP2008271839A
1
JP2008544968A
1
JP2009173650A
1
JP2009229269A
1
JP2009524576A
2
JP2010132907A
1
JP2010247083A
1
JP2011088858A
6
JP2011169877A
1
JP3145702B2
1
JP5351414B2
2
JPH00753658A
1
JPH01185399A
1
JPH01256596A
1
JPH01256597A
1
JPH01257435A
1
JPH01279828A
1
JPH02204419A
1
JPH02204482A
1
JPH02218702A
1
JPH0222224A
1
JPH02300140A
17
JPH023610A
1
JPH0242066A
2
JPH03224437A
1

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
Created
by admin
on Fri Dec 15 15:46:05 UTC 2023
Edited
by admin
on Fri Dec 15 15:46:05 UTC 2023
Record UNII
JV039JZZ3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETADEX
EP   II   INN   MART.   USAN   WHO-DD  
INN   USAN  
Official Name English
SULFOBUTYLBETADEX SODIUM IMPURITY A [EP IMPURITY]
Common Name English
.BETA.-CYCLODEXTRIN [MI]
Common Name English
INS NO.459
Code English
BCD
Common Name English
BETA CYCLODEXTRIN [USP-RS]
Common Name English
BETADEX [II]
Common Name English
BETA-CYCLODEXTRIN [FCC]
Common Name English
CYCLOMALTOHEPTAOSE
Common Name English
E-459
Code English
BETA-CYCLODEXTRIN
FCC  
Common Name English
CYCLOHEPTAGLUCAN
Common Name English
BETADEX [USAN]
Common Name English
ORISTAR BCD
Brand Name English
INS-459
Code English
CYCLODEXTRIN B
Common Name English
E459
Code English
CYCLOHEPTAAMYLOSE
Common Name English
CYCLODEXTRIN, BETA-
Common Name English
KLEPTOSE
Brand Name English
Betadex [WHO-DD]
Common Name English
BETADEX [MART.]
Common Name English
CAVAMAX W7
Brand Name English
BETADEX [EP MONOGRAPH]
Common Name English
.BETA.-CYCLODEXTRIN [FHFI]
Common Name English
NSC-269471
Code English
betadex [INN]
Common Name English
.BETA.-CYCLODEXTRIN
FHFI   MI  
Common Name English
BETA-SCHARDINGER DEXTRIN
Common Name English
CYCLOHEPTAKIS-(1->4)-(.ALPHA.-D-GLUCOPYRANOSYL)
Common Name English
ALFADEX IMPURITY A [EP IMPURITY]
Common Name English
BETACD
Common Name English
NSC-314334
Code English
BETA CYCLODEXTRIN
USP-RS  
Common Name English
RINGDEX-B
Brand Name English
Classification Tree Code System Code
CODEX ALIMENTARIUS (GSFA) INS-459
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
JECFA EVALUATION INS-459
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
NCI_THESAURUS C82130
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
DSLD 300 (Number of products:2)
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
Code System Code Type Description
INN
6860
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
NCI_THESAURUS
C80917
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
ChEMBL
CHEMBL415690
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
NSC
269471
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
EVMPD
SUB05793MIG
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
SMS_ID
100000086075
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
PUBCHEM
444041
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
DRUG CENTRAL
2971
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
MERCK INDEX
m3980
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY Merck Index
MESH
C031215
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
NSC
314334
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
DRUG BANK
DB03995
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID1020358
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
DAILYMED
JV039JZZ3A
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
ECHA (EC/EINECS)
231-493-2
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
RXCUI
1362685
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY RxNorm
GRAS Notification (GRN No.)
74
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
FDA UNII
JV039JZZ3A
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
RS_ITEM_NUM
1154569
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
CHEBI
495055
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
CAS
7585-39-9
Created by admin on Fri Dec 15 15:46:05 UTC 2023 , Edited by admin on Fri Dec 15 15:46:05 UTC 2023
PRIMARY
Related Record Type Details
Structure of ALFADEX
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of BETADEX
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
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