Hydroxydione
Star0
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Hydroxydione
- DrugBank Accession Number
- DB08956
- Background
Hydroxydione (Viadril) is a neuroactive steroid used as a general anesthetic.
- Type
- Small Molecule
- Groups
- Investigational, Withdrawn
- Structure
- Weight
- Average: 332.477
Monoisotopic: 332.23514489 - Chemical Formula
- C21H32O3
- Synonyms
- 21-hydroxy-5β-pregnane-3,20-dione
- 5beta-dihydrodeoxycorticosterone
- 5β-dihydrodeoxycorticosterone
- External IDs
- NSC-86000
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Hydroxydione sodium 53J8I8O5EW 53-10-1 BFQDICGJHAONBN-OOFWROCWSA-M - International/Other Brands
- Viadril (Pfizer)
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Steroids and steroid derivatives
- Sub Class
- Hydroxysteroids
- Direct Parent
- 21-hydroxysteroids
- Alternative Parents
- Gluco/mineralocorticoids, progestogins and derivatives / 20-oxosteroids / 3-oxo-5-beta-steroids / Alpha-hydroxy ketones / Cyclic ketones / Primary alcohols / Organic oxides / Hydrocarbon derivatives
- Substituents
- 20-oxosteroid / 21-hydroxysteroid / 3-oxo-5-beta-steroid / 3-oxosteroid / Alcohol / Aliphatic homopolycyclic compound / Alpha-hydroxy ketone / Carbonyl group / Cyclic ketone / Hydrocarbon derivative
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- 3-oxo steroid, 20-oxo steroid, 21-hydroxy steroid (CHEBI:86384)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- B7VFN88375
- CAS number
- 303-01-5
- InChI Key
- USPYDUPOCUYHQL-VEVMSBRDSA-N
- InChI
- InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15+,16+,17+,18-,20+,21+/m1/s1
- IUPAC Name
- (1S,3aS,3bR,5aR,9aS,9bS,11aS)-1-(2-hydroxyacetyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
- SMILES
- [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)CO
References
- Synthesis Reference
U.S. Patent 2,708,651.
- General References
- LERMAN LH: Viadril: a new steroid anaesthetic; preliminary communication. Br Med J. 1956 Jul 21;2(4985):129-32. [Article]
- External Links
- Human Metabolome Database
- HMDB0062609
- PubChem Compound
- 257630
- PubChem Substance
- 310264921
- ChemSpider
- 226020
- ChEBI
- 86384
- ZINC
- ZINC000004900230
- Wikipedia
- Hydroxydione
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 200 U.S. Patent 2,708,651. - Predicted Properties
Property Value Source Water Solubility 0.0156 mg/mL ALOGPS logP 3.43 ALOGPS logP 3.38 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 13.86 Chemaxon pKa (Strongest Basic) -3.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 54.37 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 93.58 m3·mol-1 Chemaxon Polarizability 38.61 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-107m-0293000000-19151626690502ed9eee Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00lr-0239000000-d7f5fe4880dd2128aabe Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0009000000-5dc8f60357a828b18026 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001j-0049000000-a9714e1a6661bb8ba96e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-02tj-0895000000-1b21bd15d04fc4c6f201 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0gx0-0059000000-8584c88643a284b518f2 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0ab9-0920000000-787917c69412d3dd3323 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 193.7864187 predictedDarkChem Lite v0.1.0 [M-H]- 179.48363 predictedDeepCCS 1.0 (2019) [M+H]+ 194.0527187 predictedDarkChem Lite v0.1.0 [M+H]+ 181.37903 predictedDeepCCS 1.0 (2019) [M+Na]+ 193.3049187 predictedDarkChem Lite v0.1.0 [M+Na]+ 187.14632 predictedDeepCCS 1.0 (2019)
Drug created at May 28, 2014 19:40 / Updated at October 29, 2024 18:21