Pirisudanol
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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
- Pirisudanol
- DrugBank Accession Number
- DB13412
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 340.376
Monoisotopic: 340.163436501 - Chemical Formula
- C16H24N2O6
- Synonyms
- Pirisudanol
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
Categories
- ATC Codes
- N06BX08 — Pirisudanol
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyridoxines. These are pyridoxal derivatives in which the carbaldehyde group at position 2 of the pyridoxal moiety is replaced by a hydroxymethyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyridines and derivatives
- Sub Class
- Pyridoxines
- Direct Parent
- Pyridoxines
- Alternative Parents
- Methylpyridines / Hydroxypyridines / Fatty acid esters / Dicarboxylic acids and derivatives / Heteroaromatic compounds / Trialkylamines / Carboxylic acid esters / Amino acids and derivatives / Azacyclic compounds / Primary alcohols show 5 more
- Substituents
- Alcohol / Amine / Amino acid or derivatives / Aromatic alcohol / Aromatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Dicarboxylic acid or derivatives show 16 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- W618Z2SMVL
- CAS number
- 33605-94-6
- InChI Key
- KTOAWCPDBUCJED-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H24N2O6/c1-11-16(22)13(9-19)12(8-17-11)10-24-15(21)5-4-14(20)23-7-6-18(2)3/h8,19,22H,4-7,9-10H2,1-3H3
- IUPAC Name
- 1-[2-(dimethylamino)ethyl] 4-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl butanedioate
- SMILES
- CN(C)CCOC(=O)CCC(=O)OCC1=C(CO)C(O)=C(C)N=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 59202
- 35097
- ChEBI
- 135442
- ChEMBL
- CHEMBL2104859
- Wikipedia
- Pirisudanol
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Pill Syrup Capsule - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 1.64 mg/mL ALOGPS logP 0.17 ALOGPS logP -0.76 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 9.44 Chemaxon pKa (Strongest Basic) 8.38 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 109.19 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 86.94 m3·mol-1 Chemaxon Polarizability 35.65 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0a4i-9300000000-c51c94fe869be8c31449 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0fkc-6789000000-a290da3a5da61277fbf1 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00kr-3925000000-afbb16bd3fe7e88534e0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0fk9-2920000000-13d063ad9914320df93a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-2910000000-574e40ff0fbb92caf8eb Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0089-3911000000-901581a098b7519ae07c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-1910000000-818569ba69b7649fc115 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]- 193.9233146 predictedDarkChem Lite v0.1.0 [M-H]- 178.58502 predictedDeepCCS 1.0 (2019) [M+H]+ 193.9085146 predictedDarkChem Lite v0.1.0 [M+H]+ 180.94302 predictedDeepCCS 1.0 (2019) [M+Na]+ 193.7360146 predictedDarkChem Lite v0.1.0 [M+Na]+ 187.03618 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:41 / Updated at February 21, 2021 18:54