Dimenoxadol
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Identification
- Generic Name
- Dimenoxadol
- DrugBank Accession Number
- DB01461
- Background
Dimenoxadol is an opioid analgesic which produces typical opioid effects such as analgesia and sedation. It is structurally similar to methadone and is a benzilic acid derivative. In the United States it is classified as a Schedule I controlled drug.
- Type
- Small Molecule
- Groups
- Experimental, Illicit
- Structure
- Weight
- Average: 327.4174
Monoisotopic: 327.183443671 - Chemical Formula
- C20H25NO3
- Synonyms
- Dimenossadolo
- Dimenoxadol
- Dimenoxadole
- Dimenoxadolum
- External IDs
- ACSCN-9617
- IDS-ND-011
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.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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Diphenylmethanes
- Direct Parent
- Diphenylmethanes
- Alternative Parents
- Benzylethers / Trialkylamines / Carboxylic acid esters / Amino acids and derivatives / Monocarboxylic acids and derivatives / Dialkyl ethers / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Amine / Amino acid or derivatives / Aromatic homomonocyclic compound / Benzylether / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Dialkyl ether / Diphenylmethane / Ether
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4D65PBX0VK
- CAS number
- 509-78-4
- InChI Key
- RHUWRJWFHUKVED-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H25NO3/c1-4-24-20(17-11-7-5-8-12-17,18-13-9-6-10-14-18)19(22)23-16-15-21(2)3/h5-14H,4,15-16H2,1-3H3
- IUPAC Name
- 2-(dimethylamino)ethyl 2-ethoxy-2,2-diphenylacetate
- SMILES
- CCOC(C(=O)OCCN(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
References
- Synthesis Reference
https://www.erowid.org/archive/rhodium/chemistry/dimenoxadol.html
- General References
- Not Available
- External Links
- PubChem Compound
- 17036
- PubChem Substance
- 46506064
- ChemSpider
- 16137
- ChEBI
- 135396
- ChEMBL
- CHEMBL2104309
- ZINC
- ZINC000001608965
- Wikipedia
- Dimenoxadol
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 0.0304 mg/mL ALOGPS logP 3.43 ALOGPS logP 3.72 Chemaxon logS -4 ALOGPS pKa (Strongest Basic) 8.42 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 38.77 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 95.77 m3·mol-1 Chemaxon Polarizability 36.51 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9929 Blood Brain Barrier + 0.8321 Caco-2 permeable + 0.7325 P-glycoprotein substrate Substrate 0.7379 P-glycoprotein inhibitor I Inhibitor 0.7434 P-glycoprotein inhibitor II Non-inhibitor 0.7755 Renal organic cation transporter Inhibitor 0.5117 CYP450 2C9 substrate Non-substrate 0.8201 CYP450 2D6 substrate Non-substrate 0.7281 CYP450 3A4 substrate Substrate 0.6667 CYP450 1A2 substrate Inhibitor 0.5648 CYP450 2C9 inhibitor Non-inhibitor 0.7985 CYP450 2D6 inhibitor Inhibitor 0.8177 CYP450 2C19 inhibitor Non-inhibitor 0.8132 CYP450 3A4 inhibitor Inhibitor 0.5224 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.5328 Ames test Non AMES toxic 0.9182 Carcinogenicity Carcinogens 0.513 Biodegradation Not ready biodegradable 0.9472 Rat acute toxicity 2.7711 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.957 hERG inhibition (predictor II) Inhibitor 0.5936
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key 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
Drug created at July 31, 2007 13:09 / Updated at February 21, 2021 18:51