Identification
- Generic Name
- Thiopyrophosphate
- DrugBank Accession Number
- DB02423
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Thiopyrophosphate (DB02423)
- Weight
- Average: 193.033
Monoisotopic: 192.912556542 - Chemical Formula
- H3O6P2S
- Synonyms
- Trihydrogen thiodiphosphate
Pharmacology
- Indication
Not Available
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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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareAluminum hydroxide Aluminum hydroxide can cause a decrease in the absorption of Thiopyrophosphate resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium acetate Calcium acetate can cause a decrease in the absorption of Thiopyrophosphate resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium carbonate Calcium carbonate can cause a decrease in the absorption of Thiopyrophosphate resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium chloride Calcium chloride can cause a decrease in the absorption of Thiopyrophosphate resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium citrate Calcium citrate can cause a decrease in the absorption of Thiopyrophosphate resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium glucoheptonate Calcium glucoheptonate can cause a decrease in the absorption of Thiopyrophosphate resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium gluconate Calcium gluconate can cause a decrease in the absorption of Thiopyrophosphate resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium lactate Calcium lactate can cause a decrease in the absorption of Thiopyrophosphate resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium Phosphate Calcium Phosphate can cause a decrease in the absorption of Thiopyrophosphate resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium polycarbophil Calcium polycarbophil can cause a decrease in the absorption of Thiopyrophosphate resulting in a reduced serum concentration and potentially a decrease in efficacy. 
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- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of inorganic compounds known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion.
- Kingdom
- Inorganic compounds
- Super Class
- Homogeneous non-metal compounds
- Class
- Non-metal oxoanionic compounds
- Sub Class
- Non-metal phosphates
- Direct Parent
- Non-metal phosphates
- Alternative Parents
- Inorganic oxides
- Substituents
- Inorganic oxide / Non-metal phosphate
- Molecular Framework
- Not Available
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- 68488-87-9
- InChI Key
- HWTUHTNZLQJJEV-UHFFFAOYSA-M
- InChI
- InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-1
- IUPAC Name
- O-phosphono hydrogen phosphorothioate
- SMILES
- OP(O)(=O)OP(O)([O-])=S
References
- General References
- Not Available
- External Links
- PDB Entries
- 1tuu / 4e0u / 4ee7 / 4ld7 / 5hc8 / 6pmt / 7oc4
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP -0.55 Chemaxon pKa (Strongest Acidic) 1.81 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 110.05 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 32.39 m3·mol-1 Chemaxon Polarizability 12.05 Å3 Chemaxon Number of Rings 0 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
Property Value Probability Human Intestinal Absorption - 0.9909 Blood Brain Barrier + 0.9278 Caco-2 permeable - 0.7609 P-glycoprotein substrate Non-substrate 0.8317 P-glycoprotein inhibitor I Non-inhibitor 0.9482 P-glycoprotein inhibitor II Non-inhibitor 0.9854 Renal organic cation transporter Non-inhibitor 0.9607 CYP450 2C9 substrate Non-substrate 0.7505 CYP450 2D6 substrate Non-substrate 0.8333 CYP450 3A4 substrate Non-substrate 0.7397 CYP450 1A2 substrate Non-inhibitor 0.8625 CYP450 2C9 inhibitor Non-inhibitor 0.8199 CYP450 2D6 inhibitor Non-inhibitor 0.9067 CYP450 2C19 inhibitor Non-inhibitor 0.844 CYP450 3A4 inhibitor Non-inhibitor 0.9165 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9546 Ames test Non AMES toxic 0.8388 Carcinogenicity Carcinogens 0.5514 Biodegradation Ready biodegradable 0.7042 Rat acute toxicity 3.1414 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9338 hERG inhibition (predictor II) Non-inhibitor 0.9344
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at June 13, 2005 13:24 / Updated at July 02, 2020 13:16