Carbonate ion
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Carbonate ion
- DrugBank Accession Number
- DB14531
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 60.0089
Monoisotopic: 59.984743866 - Chemical Formula
- CO3
- Synonyms
- Carbonate
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
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- 7UJQ5OPE7D
- CAS number
- 3812-32-6
- InChI Key
- BVKZGUZCCUSVTD-UHFFFAOYSA-L
- InChI
- InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
- IUPAC Name
- carbonate
- SMILES
- [O-]C([O-])=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1a8e / 1a8f / 1alq / 1b0l / 1b1x / 1b3e / 1b8l / 1biy / 1blf / 1ce2 … show 361 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Prevention Depression / Postpartum Depression 1 4 Completed Treatment Sensitivity, Tooth / Tooth Bleaching 1 4 Not Yet Recruiting Treatment Calcium Carbonate Absorption / Calcium Citrate Absorption 1 3 Completed Treatment Acute Lymphoblastic Leukemia (ALL) / B-cell Adult Acute Lymphoblastic Leukemia (ALL) / B-cell Childhood Acute Lymphoblastic Leukemia 1 3 Not Yet Recruiting Treatment B-cell Acute Lymphoblastic Leukemia 1
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 756.0 mg/mL ALOGPS logP -0.53 ALOGPS logP 0.25 Chemaxon logS 0.9 ALOGPS pKa (Strongest Acidic) 6.05 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 63.19 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 31.17 m3·mol-1 Chemaxon Polarizability 3.52 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 93.1937509 predictedDarkChem Lite v0.1.0 [M-H]- 93.2964509 predictedDarkChem Lite v0.1.0 [M-H]- 110.81642 predictedDeepCCS 1.0 (2019) [M-H]- 93.1937509 predictedDarkChem Lite v0.1.0 [M-H]- 93.2964509 predictedDarkChem Lite v0.1.0 [M-H]- 110.81642 predictedDeepCCS 1.0 (2019) [M+H]+ 112.64902 predictedDeepCCS 1.0 (2019) [M+H]+ 112.64902 predictedDeepCCS 1.0 (2019) [M+Na]+ 120.36902 predictedDeepCCS 1.0 (2019) [M+Na]+ 120.36902 predictedDeepCCS 1.0 (2019)
Drug created at July 12, 2018 19:39 / Updated at June 12, 2020 16:53