NAV

Tolpropamine

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

Identification

Generic Name
Tolpropamine
DrugBank Accession Number
DB13305
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 253.389
Monoisotopic: 253.183049745
Chemical Formula
C18H23N
Synonyms
  • Tolpropamina
  • Tolpropamine
  • Tolpropaminum
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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
PathwayCategory
Tolpropamine H1-Antihistamine ActionDrug action
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

ATC Codes
D04AA12 — Tolpropamine
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
Monocyclic monoterpenoids / Aromatic monoterpenoids / Toluenes / Aralkylamines / Trialkylamines / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Amine / Aralkylamine / Aromatic homomonocyclic compound / Aromatic monoterpenoid / Diphenylmethane / Hydrocarbon derivative / Monocyclic monoterpenoid / Monoterpenoid / Organic nitrogen compound / Organonitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
TBZ8909KFS
CAS number
5632-44-0
InChI Key
CINROOONPHQHPO-UHFFFAOYSA-N
InChI
InChI=1S/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3
IUPAC Name
dimethyl[3-(4-methylphenyl)-3-phenylpropyl]amine
SMILES
CN(C)CCC(C1=CC=CC=C1)C1=CC=C(C)C=C1

References

General References
Not Available
Human Metabolome Database
HMDB0240238
ChemSpider
65115
ChEBI
135035
ChEMBL
CHEMBL2107261
Wikipedia
Tolpropamine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.00602 mg/mLALOGPS
logP4.09ALOGPS
logP4.58Chemaxon
logS-4.6ALOGPS
pKa (Strongest Basic)9.65Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area3.24 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity83.64 m3·mol-1Chemaxon
Polarizability31.24 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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-MSsplash10-0a59-7920000000-074dc79b1052dd0931e7
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zfr-4190000000-233ef16a0a4c1354afe6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-b33a267728bfc83f7a21
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9550000000-8e9f07fc757dba289fc5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uec-6970000000-23373a6e78b070baa93a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014l-4900000000-101ae0e755bd2b9c586d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fw9-5910000000-dec6d65fc2fcc1b0b6df
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]-174.1542435
predicted
DarkChem Lite v0.1.0
[M-H]-163.60689
predicted
DeepCCS 1.0 (2019)
[M+H]+174.4087435
predicted
DarkChem Lite v0.1.0
[M+H]+165.96489
predicted
DeepCCS 1.0 (2019)
[M+Na]+174.3590435
predicted
DarkChem Lite v0.1.0
[M+Na]+172.05803
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:39 / Updated at March 09, 2021 02:59