NAV

Pirisudanol

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
3D
Similar Structures
Weight
Average: 340.376
Monoisotopic: 340.163436501
Chemical Formula
C16H24N2O6
Synonyms
  • Pirisudanol
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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

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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
ChemSpider
59202
RxNav
35097
ChEBI
135442
ChEMBL
CHEMBL2104859
Wikipedia
Pirisudanol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Pill
Syrup
Capsule
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.64 mg/mLALOGPS
logP0.17ALOGPS
logP-0.76Chemaxon
logS-2.3ALOGPS
pKa (Strongest Acidic)9.44Chemaxon
pKa (Strongest Basic)8.38Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area109.19 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity86.94 m3·mol-1Chemaxon
Polarizability35.65 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4i-9300000000-c51c94fe869be8c31449
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fkc-6789000000-a290da3a5da61277fbf1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-3925000000-afbb16bd3fe7e88534e0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fk9-2920000000-13d063ad9914320df93a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-2910000000-574e40ff0fbb92caf8eb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0089-3911000000-901581a098b7519ae07c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1910000000-818569ba69b7649fc115
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-193.9233146
predicted
DarkChem Lite v0.1.0
[M-H]-178.58502
predicted
DeepCCS 1.0 (2019)
[M+H]+193.9085146
predicted
DarkChem Lite v0.1.0
[M+H]+180.94302
predicted
DeepCCS 1.0 (2019)
[M+Na]+193.7360146
predicted
DarkChem Lite v0.1.0
[M+Na]+187.03618
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:41 / Updated at February 21, 2021 18:54