Spiradoline
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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
- Spiradoline
- DrugBank Accession Number
- DB12704
- Background
Spiradoline has been investigated for the basic science of Bipolar Depression.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 425.39
Monoisotopic: 424.1684336 - Chemical Formula
- C22H30Cl2N2O2
- Synonyms
- Spiradoline
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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbacavir Spiradoline may increase the excretion rate of Abacavir which could result in a lower serum level and potentially a reduction in efficacy. Acebutolol Acebutolol may increase the arrhythmogenic activities of Spiradoline. Aceclofenac Spiradoline may increase the excretion rate of Aceclofenac which could result in a lower serum level and potentially a reduction in efficacy. Acemetacin The therapeutic efficacy of Spiradoline can be decreased when used in combination with Acemetacin. Acetaminophen Spiradoline may increase the excretion rate of Acetaminophen which could result in a lower serum level and potentially a reduction in efficacy. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Phenylacetamides
- Direct Parent
- Phenylacetamides
- Alternative Parents
- Dichlorobenzenes / N-alkylpyrrolidines / Aryl chlorides / Tetrahydrofurans / Tertiary carboxylic acid amides / Trialkylamines / Amino acids and derivatives / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds show 5 more
- Substituents
- 1,2-dichlorobenzene / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid derivative show 22 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- N18ZH0M4NP
- CAS number
- 87151-85-7
- InChI Key
- NYKCGQQJNVPOLU-ONTIZHBOSA-N
- InChI
- InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1
- IUPAC Name
- 2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl]acetamide
- SMILES
- [H][C@@]1(CC[C@@]2(CCCO2)C[C@]1([H])N1CCCC1)N(C)C(=O)CC1=CC(Cl)=C(Cl)C=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 55652
- PubChem Substance
- 347828902
- ChemSpider
- 50257
- BindingDB
- 83436
- ChEMBL
- CHEMBL70586
- ZINC
- ZINC000002530707
- Wikipedia
- Spiradoline
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Basic Science Depression, Bipolar 1
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 Water Solubility 0.0147 mg/mL ALOGPS logP 4.27 ALOGPS logP 3.81 Chemaxon logS -4.5 ALOGPS pKa (Strongest Basic) 9.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 32.78 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 114.04 m3·mol-1 Chemaxon Polarizability 45 Å3 Chemaxon Number of Rings 4 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
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0040900000-39abf76f69b4a5e71f00 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0000900000-3179d697ae3ca6032b03 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0120900000-0092d29de97ca7a59db1 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-056r-2342900000-fe90f10c66e04b8649b2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9353100000-a87ced7560e6e7c98cbb Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03fr-3941100000-7792c4d0a0db7d3d9797 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 193.31691 predictedDeepCCS 1.0 (2019) [M+H]+ 195.67491 predictedDeepCCS 1.0 (2019) [M+Na]+ 201.76807 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:41 / Updated at February 21, 2021 18:53