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Piprinhydrinate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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Identification

Generic Name
Piprinhydrinate
DrugBank Accession Number
DB15987
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 496.01
Monoisotopic: 495.2037175
Chemical Formula
C26H30ClN5O3
Synonyms
  • Diphenylpyraline 8-chlorotheophyllinate
  • Diphenylpyraline teoclate
  • Piprinhidrinato
  • Piprinhydrinate
  • Piprinhydrinatum
External IDs
  • 210-128-0
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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
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
SI78RFJ7XI
CAS number
606-90-6
InChI Key
JSNIFGPPGAINSG-UHFFFAOYSA-N
InChI
InChI=1S/C19H23NO.C7H7ClN4O2/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-11,18-19H,12-15H2,1H3;1-2H3,(H,9,10)
IUPAC Name
4-(diphenylmethoxy)-1-methylpiperidine; 8-chloro-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMILES
CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O.CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
64704

Clinical Trials

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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
PropertyValueSource
Water Solubility9.41 mg/mLALOGPS
logP0.84ALOGPS
logP3.66Chemaxon
logS-1.4ALOGPS
pKa (Strongest Basic)8.87Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area12.47 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity87.36 m3·mol-1Chemaxon
Polarizability32.35 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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]-171.9407679
predicted
DarkChem Lite v0.1.0
[M-H]-199.61443
predicted
DeepCCS 1.0 (2019)
[M+H]+172.3334679
predicted
DarkChem Lite v0.1.0
[M+H]+202.01
predicted
DeepCCS 1.0 (2019)
[M+Na]+172.4482679
predicted
DarkChem Lite v0.1.0
[M+Na]+207.95964
predicted
DeepCCS 1.0 (2019)

Drug created at December 10, 2020 16:30 / Updated at February 21, 2021 18:55