Hydroxypropyl betadex
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Hydroxypropyl betadex
- DrugBank Accession Number
- DB15379
- Background
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
- Weight
- Average: 1467.468
Monoisotopic: 1466.626038213 - Chemical Formula
- C60H106O40
- Synonyms
- 2-Hydroxylpropyl-beta-cyclodextrin
- 2-Hydroxypropyl-b-cyclodextrin
- 2-HYDROXYPROPYL-BETA-CYCLODEXTRIN
- HP-beta-CD
- HPB
- Hydroxypropyl beta cyclodextrin
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
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
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
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
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Recruiting Treatment Alzheimer's Disease (AD) 1 1 Completed Treatment Niemann-Pick Disease, Type C1 1 1, 2 Recruiting Treatment Niemann-Pick Disease, Type C 1
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
Property Value Source Water Solubility 358.0 mg/mL ALOGPS logP -2.1 ALOGPS logP -9.5 Chemaxon logS -0.61 ALOGPS pKa (Strongest Acidic) 11.67 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 40 Chemaxon Hydrogen Donor Count 20 Chemaxon Polar Surface Area 589.2 Å2 Chemaxon Rotatable Bond Count 25 Chemaxon Refractivity 318.57 m3·mol-1 Chemaxon Polarizability 145.94 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 15:22 / Updated at April 15, 2023 22:28