This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- HEPES
- DrugBank Accession Number
- DB16872
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for HEPES (DB16872)
- Weight
- Average: 238.3
Monoisotopic: 238.098728242 - Chemical Formula
- C8H18N2O4S
- Synonyms
- 4-(2-Hydroxyethyl)-1-piperazineethane sulfonic acid
- 4-(2-Hydroxyethyl)-1-piperazineethane sulphonic acid
- External IDs
- NSC-166663
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- RWW266YE9I
- CAS number
- 7365-45-9
- InChI Key
- JKMHFZQWWAIEOD-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
- IUPAC Name
- 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethane-1-sulfonic acid
- SMILES
- OCCN1CCN(CCS(O)(=O)=O)CC1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0062295
- ChemSpider
- 22278
- 1312611
- ChEBI
- 46755
- ChEMBL
- CHEMBL1232545
- ZINC
- ZINC000019203136
- PDBe Ligand
- EPE
- Wikipedia
- HEPES
- PDB Entries
- 16pk / 1ajk / 1asu / 1asw / 1bht / 1bot / 1bvq / 1bzs / 1cxq / 1czb … show 1362 more
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 52.5 mg/mL ALOGPS logP -2 ALOGPS logP -3.1 Chemaxon logS -0.66 ALOGPS pKa (Strongest Acidic) -1.3 Chemaxon pKa (Strongest Basic) 7.34 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 81.08 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 57.02 m3·mol-1 Chemaxon Polarizability 24.52 Å3 Chemaxon Number of Rings 1 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
Drug created at July 27, 2022 14:43 / Updated at December 01, 2022 11:31