Hydroxypropyl betadex

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Hydroxypropyl betadex
Accession Number
DB15379
Description

Hydroxypropyl betadex is under investigation in clinical trial NCT03471143 (Study of IV VTS-270 for Infantile Liver Disease Associated With Niemann-Pick Disease, Type C).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 1467.468
Monoisotopic: 1466.626038213
Chemical Formula
C60H106O40
Synonyms
  • 2-HYDROXYPROPYL-BETA-CYCLODEXTRIN

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
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Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half-life
Not Available
Clearance
Not Available
Adverse Effects
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Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

Categories

Drug Categories
Classification
Not classified

Chemical Identifiers

UNII
1I96OHX6EK
CAS number
128446-35-5
InChI Key
FCVINZIHPISTIY-YBOQSWHISA-N
InChI
InChI=1S/C60H106O40/c1-21(65)12-81-18-33-28-7-27(71)54(92-33)95-46-30(9-62)90-60(52(42(46)78)85-16-25(5)69)99-47-31(10-63)91-59(53(43(47)79)86-17-26(6)70)98-45-29(8-61)88-56(40(76)36(45)72)96-48-35(20-83-14-23(3)67)94-57(41(77)38(48)74)100-50-32(11-64)89-58(44(80)51(50)84-15-24(4)68)97-49-34(19-82-13-22(2)66)93-55(87-28)39(75)37(49)73/h21-80H,7-20H2,1-6H3/t21?,22?,23?,24?,25?,26?,27-,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,60-/m1/s1
IUPAC Name
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18S,20R,21S,23R,25R,26R,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,45R,46S,47R,48S,49R)-5,10,25,35-tetrakis(hydroxymethyl)-40,47,49-tris(2-hydroxypropoxy)-15,20,30-tris[(2-hydroxypropoxy)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}.2^{28,31}]nonatetracontane-36,37,38,39,41,42,43,45,46,48-decol
SMILES
CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1C[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7OCC(C)O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](OCC(C)O)[C@H]4O)[C@H](OCC(C)O)[C@H]3O

References

General References
Not Available
RxNav
1363608

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentNiemann-Pick Disease, Type C11
1, 2RecruitingTreatmentNiemann-Pick Disease, Type C1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility358.0 mg/mLALOGPS
logP-2.1ALOGPS
logP-9.5ChemAxon
logS-0.61ALOGPS
pKa (Strongest Acidic)11.67ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count40ChemAxon
Hydrogen Donor Count20ChemAxon
Polar Surface Area589.2 Å2ChemAxon
Rotatable Bond Count25ChemAxon
Refractivity318.57 m3·mol-1ChemAxon
Polarizability145.94 Å3ChemAxon
Number of Rings8ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on May 20, 2019 09:22 / Updated on June 12, 2020 10:53

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