Phosphopantothenic acid
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Phosphopantothenic acid
- DrugBank Accession Number
- DB16966
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 299.216
Monoisotopic: 299.077003542 - Chemical Formula
- C9H18NO8P
- Synonyms
- .beta.-alanine, n-((2r)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)-
- 4'-phospho-d-pantothenic acid
- 4'-phosphopantothenic acid
- D-pantothenic acid 4'-phosphate
- Pantothenate phosphate
- Pantothenic acid, 4'-(dihydrogen phosphate)
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
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 1SCE5NG3E8
- CAS number
- 5875-50-3
- InChI Key
- XHFVGHPGDLDEQO-ZETCQYMHSA-N
- InChI
- InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/t7-/m0/s1
- IUPAC Name
- 3-[(2R)-2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido]propanoic acid
- SMILES
- CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001016
- KEGG Compound
- C03492
- ChemSpider
- 37997
- ChEBI
- 15905
- ZINC
- ZINC000001529671
- PDBe Ligand
- PAZ
- PDB Entries
- 2zsa / 3aez / 3bf3 / 5kpz / 6ai9
Clinical Trials
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
Property Value Source Water Solubility 5.09 mg/mL ALOGPS logP -1.5 ALOGPS logP -1.5 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 1.79 Chemaxon pKa (Strongest Basic) -3.8 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 153.39 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 62.38 m3·mol-1 Chemaxon Polarizability 26.55 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
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 15, 2022 02:01 / Updated at December 01, 2022 11:33