Betulinic Acid
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Betulinic Acid
- Accession Number
- DB12480
- Description
Betulinic Acid has been used in trials studying the treatment of Dysplastic Nevus Syndrome.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Betulinic Acid (DB12480)
- Weight
- Average: 456.711
Monoisotopic: 456.360345406 - Chemical Formula
- C30H48O3
- Synonyms
- beta-betulinic acid
- External IDs
- ALS-357
- NSC-113090
Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
- Not Available
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAceclofenac The risk or severity of adverse effects can be increased when Aceclofenac is combined with Betulinic Acid. Acemetacin The risk or severity of adverse effects can be increased when Acemetacin is combined with Betulinic Acid. Acetylsalicylic acid The risk or severity of adverse effects can be increased when Acetylsalicylic acid is combined with Betulinic Acid. Alclofenac The risk or severity of adverse effects can be increased when Alclofenac is combined with Betulinic Acid. Aminophenazone The risk or severity of adverse effects can be increased when Aminophenazone is combined with Betulinic Acid. Antipyrine The risk or severity of adverse effects can be increased when Antipyrine is combined with Betulinic Acid. Antrafenine The risk or severity of adverse effects can be increased when Antrafenine is combined with Betulinic Acid. Balsalazide The risk or severity of adverse effects can be increased when Balsalazide is combined with Betulinic Acid. Bendazac The risk or severity of adverse effects can be increased when Bendazac is combined with Betulinic Acid. Benorilate The risk or severity of adverse effects can be increased when Benorilate is combined with Betulinic Acid. 
Improve patient outcomesBuild effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.Learn more - Food Interactions
- Not Available
Products
Comprehensive & structured drug product infoFrom application numbers to product codes, connect different identifiers through our commercial datasets.Easily connect various identifiers back to our datasets- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Episalvan Betulinic Acid (80 mg/1g) + Birch bark extract (100 mg/1g) Gel Cutaneous Amryt Ag 2021-02-10 Not applicable EU 
Categories
- Drug Categories
- Agents that produce hypertension
- Analgesics
- Analgesics, Non-Narcotic
- Anti-HIV Agents
- Anti-Infective Agents
- Anti-Inflammatory Agents
- Anti-Inflammatory Agents, Non-Steroidal
- Anti-Retroviral Agents
- Antimalarials
- Antineoplastic Agents
- Antineoplastic Agents, Phytogenic
- Antiparasitic Agents
- Antiprotozoals
- Antirheumatic Agents
- Antiviral Agents
- Central Nervous System Agents
- Hormone Antagonists
- Hormones, Hormone Substitutes, and Hormone Antagonists
- Non COX-2 selective NSAIDS
- Peripheral Nervous System Agents
- Prostaglandin Antagonists
- Sensory System Agents
- Terpenes
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Prenol lipids
- Sub Class
- Triterpenoids
- Direct Parent
- Triterpenoids
- Alternative Parents
- 18-hydroxysteroids / Oxosteroids / Secondary alcohols / Cyclic alcohols and derivatives / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- 18-hydroxysteroid / 18-oxosteroid / Alcohol / Aliphatic homopolycyclic compound / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Cyclic alcohol / Hydrocarbon derivative / Hydroxysteroid
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- hydroxy monocarboxylic acid, pentacyclic triterpenoid (CHEBI:3087) / Lupanes (C08619) / Lupane triterpenoids (LMPR0106140004)
Chemical Identifiers
- UNII
- 4G6A18707N
- CAS number
- 472-15-1
- InChI Key
- QGJZLNKBHJESQX-FZFNOLFKSA-N
- InChI
- InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
- IUPAC Name
- (1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosane-5-carboxylic acid
- SMILES
- [H]OC(=O)[C@]12CC[C@@]([H])(C(C)=C)[C@]1([H])[C@@]1([H])CC[C@]3([H])[C@@]4(C)CC[C@]([H])(O[H])C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0030094
- KEGG Compound
- C08619
- PubChem Compound
- 64971
- PubChem Substance
- 347828718
- ChemSpider
- 58496
- BindingDB
- 23208
- ChEBI
- 3087
- ChEMBL
- CHEMBL269277
- ZINC
- ZINC000004097714
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Active Not Recruiting Treatment Epidermolysis Bullosa 1 3 Completed Treatment Wounds 2 1 Unknown Status Treatment Melanoma 1 1, 2 Suspended Treatment Dysplastic Nevus Syndrome 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Gel Cutaneous Gel Topical 80 mg/g - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000204 mg/mL ALOGPS logP 5.34 ALOGPS logP 6.64 ChemAxon logS -6.4 ALOGPS pKa (Strongest Acidic) 4.75 ChemAxon pKa (Strongest Basic) -0.84 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 57.53 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 132.63 m3·mol-1 ChemAxon Polarizability 54.64 Å3 ChemAxon Number of Rings 5 ChemAxon Bioavailability 1 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Drug created on October 20, 2016 22:33 / Updated on June 12, 2020 16:53