Algestone
Star0
Identification
- Generic Name
- Algestone
- DrugBank Accession Number
- DB18000
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 346.467
Monoisotopic: 346.214409446 - Chemical Formula
- C21H30O4
- Synonyms
- (16.alpha.)-16,17-dihydroxypregn-4-ene-3,20-dione
- 16.alpha.,17-dihydroxypregn-4-ene-3,20-dione
- 16.alpha.,17-dihydroxyprogesterone
- 4-pregnene-16.alpha.,17.alpha.-diol-3,20-dione
- Alphasone
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
Categories
- Drug Categories
- Adrenal Cortex Hormones
- Contraceptive Agents, Female
- Contraceptive Agents, Hormonal
- Contraceptives, Oral
- Contraceptives, Oral, Hormonal
- Contraceptives, Oral, Synthetic
- Fused-Ring Compounds
- Hormonal Contraceptives for Systemic Use
- Hormones
- Hormones, Hormone Substitutes, and Hormone Antagonists
- Pregnanes
- Pregnenediones
- Pregnenes
- Progesterone and Derivatives
- Progestins
- Reproductive Control Agents
- Steroids
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3JEB53B3WT
- CAS number
- 595-77-7
- InChI Key
- CXDWHYOBSJTRJU-SRWWVFQWSA-N
- InChI
- InChI=1S/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21-/m0/s1
- IUPAC Name
- (1S,2R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-1,2-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
- SMILES
- [H][C@@]12C[C@@H](O)[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
References
- General References
- Not Available
- External Links
- KEGG Compound
- C06391
- ChemSpider
- 11196
- BindingDB
- 50474602
- 595
- ChEBI
- 763
- ChEMBL
- CHEMBL2311120
- ZINC
- ZINC000004097110
- Wikipedia
- Algestone
Clinical Trials
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 logP 2.33 Chemaxon pKa (Strongest Acidic) 11.85 Chemaxon pKa (Strongest Basic) -3.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 74.6 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 95.47 m3·mol-1 Chemaxon Polarizability 38.85 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at August 31, 2023 15:47 / Updated at September 02, 2023 00:24