Monophosphothiamine
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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
- 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
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
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
- AIFA Package Leaflet: NEO CROMATON BICOMPLESSO (vitamin B complex mixture) powder, for oral solution [Link]
- External Links
- ChemSpider
- 10307
- ChEBI
- 18338
- ChEMBL
- CHEMBL2106811
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Powder, for solution Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0507 mg/mL ALOGPS logP -1.7 ALOGPS logP -5.9 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 1.66 Chemaxon pKa (Strongest Basic) 5.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 122.44 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 84.27 m3·mol-1 Chemaxon Polarizability 32.55 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 182.5952788 predictedDarkChem Lite v0.1.0 [M-H]- 122.05523 predictedDeepCCS 1.0 (2019) [M+H]+ 185.0484788 predictedDarkChem Lite v0.1.0 [M+H]+ 125.82523 predictedDeepCCS 1.0 (2019) [M+Na]+ 185.6079788 predictedDarkChem Lite v0.1.0 [M+Na]+ 134.20567 predictedDeepCCS 1.0 (2019)
Drug created at December 14, 2020 17:45 / Updated at May 05, 2021 20:32