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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyMethallenestril
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Methallenestril
- Accession Number
- DB13143
- Type
- Small Molecule
- Groups
- Experimental
- Description
- Not Available
- Structure
Structure for Methallenestril (DB13143)
- Synonyms
- b-ethyl-6-methoxy-a,a-dimethyl-2-naphthalenepropionic acid
- International/Other Brands
- Vallestril
- Categories
- UNII
- XL025389JS
- CAS number
- 517-18-0
- Weight
- Average: 286.371
Monoisotopic: 286.156894568 - Chemical Formula
- C18H22O3
- InChI Key
- KHLJKRBMZVNZOC-MRXNPFEDSA-N
- InChI
- InChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)/t16-/m1/s1
- IUPAC Name
- (3R)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
- SMILES
- CC[C@H](C1=CC=C2C=C(OC)C=CC2=C1)C(C)(C)C(O)=O
Pharmacology
- Indication
- Not Available
- 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
- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
Drug Interaction 16-Bromoepiandrosterone The serum concentration of 16-Bromoepiandrosterone can be increased when it is combined with Methallenestril. 19-norandrostenedione The serum concentration of 19-norandrostenedione can be increased when it is combined with Methallenestril. 5-androstenedione The serum concentration of 5-androstenedione can be increased when it is combined with Methallenestril. Aceclofenac Aceclofenac may increase the thrombogenic activities of Methallenestril. Aldosterone The serum concentration of Aldosterone can be increased when it is combined with Methallenestril. Alemtuzumab Methallenestril may increase the thrombogenic activities of Alemtuzumab. Ambroxol acefyllinate The serum concentration of Ambroxol acefyllinate can be increased when it is combined with Methallenestril. Aminophylline The serum concentration of Aminophylline can be increased when it is combined with Methallenestril. Anastrozole The therapeutic efficacy of Anastrozole can be decreased when used in combination with Methallenestril. Androstenedione The serum concentration of Androstenedione can be increased when it is combined with Methallenestril. - Food Interactions
- Not Available
References
- General References
- Not Available
- External Links
- PubChem Compound
- 59084697
- PubChem Substance
- 347829260
- ChemSpider
- 34995295
- Wikipedia
- Methallenestril
- ATC Codes
- G03CC03 — Methallenestril
- G03CC — Estrogens, combinations with other drugs
- G03C — ESTROGENS
- G03 — SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- G — GENITO URINARY SYSTEM AND SEX HORMONES
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00102 mg/mL ALOGPS logP 4.69 ALOGPS logP 4.72 ChemAxon logS -5.4 ALOGPS pKa (Strongest Acidic) 4.53 ChemAxon pKa (Strongest Basic) -4.8 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 46.53 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 83.11 m3·mol-1 ChemAxon Polarizability 32.23 Å3 ChemAxon Number of Rings 2 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 Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Naphthalenes
- Sub Class
- Not Available
- Direct Parent
- Naphthalenes
- Alternative Parents
- Anisoles / Alkyl aryl ethers / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Naphthalene / Phenol ether / Anisole / Alkyl aryl ether / Monocarboxylic acid or derivatives / Ether / Carboxylic acid / Carboxylic acid derivative / Organic oxygen compound / Organic oxide
- Molecular Framework
- Aromatic homopolycyclic compounds
- External Descriptors
- Not Available
Drug created on November 04, 2016 15:36 / Updated on October 01, 2018 15:26