7.beta.-hydroxycholesteryl-3-oleate
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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
- 7.beta.-hydroxycholesteryl-3-oleate
- DrugBank Accession Number
- DB18113
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 667.116
Monoisotopic: 666.595096372 - Chemical Formula
- C45H78O3
- Synonyms
- 7.beta.-hydroxycholesterol 3-oleate
- 7.beta.-hydroxycholesteryl 3-oleate
- Cholest-5-ene-3,7-diol, 3-(9z)-9-octadecenoate, (3.beta.,7.beta.)-
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- A59FMD985O
- CAS number
- 141099-60-7
- InChI Key
- MEOFSGIGKMJGOJ-FTKDFQSGSA-N
- InChI
- InChI=1S/C45H78O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-42(47)48-37-28-30-44(5)36(32-37)33-41(46)43-39-27-26-38(35(4)24-22-23-34(2)3)45(39,6)31-29-40(43)44/h14-15,33-35,37-41,43,46H,7-13,16-32H2,1-6H3/b15-14-/t35-,37+,38-,39-,40-,41+,43-,44+,45+/m1/s1
- IUPAC Name
- (1R,3aS,3bS,4R,7S,9aR,9bS,11aR)-4-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (9Z)-octadec-9-enoate
- SMILES
- [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H](C)CCCC(C)C
References
- General References
- Not Available
- External Links
- ChemSpider
- 32699072
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 13.41 Chemaxon pKa (Strongest Acidic) 19.2 Chemaxon pKa (Strongest Basic) -0.96 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 46.53 Å2 Chemaxon Rotatable Bond Count 22 Chemaxon Refractivity 205.96 m3·mol-1 Chemaxon Polarizability 88.63 Å3 Chemaxon Number of Rings 4 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 12, 2023 16:39 / Updated at September 12, 2023 18:34