Benzylthiouracil

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

Identification

Name
Benzylthiouracil
Accession Number
DB13804
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
PZ35LUM333
CAS number
6336-50-1
Weight
Average: 218.27
Monoisotopic: 218.051384124
Chemical Formula
C11H10N2OS
InChI Key
PNXBXCRWXNESOV-UHFFFAOYSA-N
InChI
InChI=1S/C11H10N2OS/c14-10-7-9(12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)
IUPAC Name
6-benzyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
SMILES
O=C1NC(=S)NC(CC2=CC=CC=C2)=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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.
DrugInteraction
(R)-warfarinBenzylthiouracil may increase the anticoagulant activities of (R)-warfarin.
(S)-WarfarinBenzylthiouracil may increase the anticoagulant activities of (S)-Warfarin.
2,5-Dimethoxy-4-ethylamphetamineThe risk or severity of adverse effects can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with Benzylthiouracil.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when 2,5-Dimethoxy-4-ethylthioamphetamine is combined with Benzylthiouracil.
3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinoneThe therapeutic efficacy of Benzylthiouracil can be decreased when used in combination with 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone.
3-isobutyl-1-methyl-7H-xanthineBenzylthiouracil may decrease the excretion rate of 3-isobutyl-1-methyl-7H-xanthine which could result in a higher serum level.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Benzylthiouracil.
4-hydroxycoumarinBenzylthiouracil may increase the anticoagulant activities of 4-hydroxycoumarin.
6-O-benzylguanineBenzylthiouracil may decrease the excretion rate of 6-O-benzylguanine which could result in a higher serum level.
7-DeazaguanineBenzylthiouracil may decrease the excretion rate of 7-Deazaguanine which could result in a higher serum level.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

    Learn more
  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

    Learn more
  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

    Learn more
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
597542
RxNav
19084
ChEBI
134902
ChEMBL
CHEMBL1491306
ZINC
ZINC000008580452
Wikipedia
Benzylthiouracil
ATC Codes
H03BA03 — Benzylthiouracil

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.0504 mg/mLALOGPS
logP2.06ALOGPS
logP1.89ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)8.09ChemAxon
pKa (Strongest Basic)-3.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area41.13 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity64.4 m3·mol-1ChemAxon
Polarizability22.27 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Pyrimidones
Alternative Parents
Pyrimidinethiones / 2-Thiopyrimidines / Hydropyrimidines / Benzene and substituted derivatives / Vinylogous amides / Heteroaromatic compounds / Thioureas / Lactams / Azacyclic compounds / Organopnictogen compounds
show 4 more
Substituents
2-thiopyrimidine / Thiopyrimidine / Pyrimidinethione / Pyrimidone / Monocyclic benzene moiety / Hydropyrimidine / Benzenoid / Heteroaromatic compound / Vinylogous amide / Lactam
show 11 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:49 / Updated on June 12, 2020 10:53

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Logo pink
Stay in the know!
As part of our commitment to providing the most up-to-date drug information, we will be releasing #DrugBankUpdates with our newly added curated drug pages.
#DrugBankUpdates