Monophosphothiamine

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

Identification

Summary

Monophosphothiamine is a B vitamin for supplementation to treat macrocytic anemia, and other conditions caused by B vitamin deficiencies.

Generic Name
Monophosphothiamine
DrugBank Accession Number
DB16023
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 380.78
Monoisotopic: 380.0474909
Chemical Formula
C12H18ClN4O4PS
Synonyms
  • Monofosfotiamina
  • Monophosphothiamine
  • Thiamine monophosphate
  • Vitamin B1 monophosphate
  • Vitamin B1 phosphate
External IDs
  • 208-536-9

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
P712T71Q3T
CAS number
532-40-1
InChI Key
GUGWNSHJDUEHNJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H
IUPAC Name
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride
SMILES
[Cl-].CC1=C(CCOP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N

References

General References
  1. AIFA Package Leaflet: NEO CROMATON BICOMPLESSO (vitamin B complex mixture) powder, for oral solution [Link]
ChemSpider
10307
ChEBI
18338
ChEMBL
CHEMBL2106811

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Powder, for solutionOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0507 mg/mLALOGPS
logP-1.7ALOGPS
logP-5.9ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)1.66ChemAxon
pKa (Strongest Basic)5.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area122.44 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity84.27 m3·mol-1ChemAxon
Polarizability32.55 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on December 14, 2020 17:45 / Updated on May 05, 2021 20:32