Calcium chloride
Identification
- Name
- Calcium chloride
- Accession Number
- DB01164
- Description
Calcium chloride is an ionic compound of calcium and chlorine. It is highly soluble in water and it is deliquescent. It is a salt that is solid at room temperature, and it behaves as a typical ionic halide. It has several common applications such as brine for refrigeration plants, ice and dust control on roads, and in cement. It can be produced directly from limestone, but large amounts are also produced as a by-product of the Solvay process. Because of its hygroscopic nature, it must be kept in tightly-sealed containers.
- Type
- Small Molecule
- Groups
- Approved
- Structure
Structure for Calcium chloride (DB01164)
- Weight
- Average: 110.984
Monoisotopic: 109.900296569 - Chemical Formula
- CaCl2
- Synonyms
- Calcio cloruro
- Calcium chloride anhydrous
- Calcium chloride, anhydrous
- calcium(2+) chloride
- External IDs
- E-509
- INS NO.509
- INS-509
Pharmacology
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For the treatment of hypocalcemia in those conditions requiring a prompt increase in blood plasma calcium levels, for the treatment of magnesium intoxication due to overdosage of magnesium sulfate, and used to combat the deleterious effects of hyperkalemia as measured by electrocardiographic (ECG), pending correction of the increased potassium level in the extracellular fluid.
- Associated Conditions
- Acute Renal Failure (ARF)
- Chronic Renal Failure (CRF)
- Dehydration
- Dehydration Hypertonic
- Dry Mouth
- Electrolyte depletion
- End-stage Chronic Kidney Failure
- Fluid Loss
- Hyperkalemia
- Hypocalcemia
- Hypocalcemic tetany
- Hypovolaemia
- Isotonic Dehydration
- Shock, Hypovolemic
- Beta blocker overdose
- Calcium channel blocker overdose
- Associated Therapies
- Continuous Renal Replacement Therapy
- Electrolyte replacement
- Haemodiafiltration
- Hemodialysis Treatment
- Hemofiltration
- Irrigation therapy
- Parenteral Nutrition
- Peritoneal dialysis therapy
- Plasma Volume Replacement
- Urine alkalinization therapy
- Distension of the joints
- Extraocular irrigation
- Fluid and electrolyte maintenance therapy
- Induction of cardiac arrest
- Irrigation of the joints
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- Pharmacodynamics
Calcium is the fifth most abundant element in the body and the major fraction is in the bony structure. Calcium plays important physiological roles, many of which are poorly understood. It is essential for the functional integrity of the nervous and muscular systems. It is necessary for normal cardiac function and is one of the factors that operates in the mechanisms involved in the coagulation of blood.
- Mechanism of action
Calcium chloride in water dissociates to provide calcium (Ca2+) and chloride (Cl-) ions. They are normal constituents of the body fluids and are dependent on various physiological mechanisms for maintenance of balance between intake and output. For hyperkalemia, the influx of calcium helps restore the normal gradient between threshold potential and resting membrane potential.
Target Actions Organism UProtein S100-A13 Not Available Humans - Absorption
- Not Available
- Volume of distribution
- Not Available
- Protein binding
- Not Available
- Metabolism
Approximately 80% of body calcium is excreted in the feces as insoluble salts; urinary excretion accounts for the remaining 20%.
- Route of elimination
Approximately 80% of body calcium is excreted in the feces as insoluble salts; urinary excretion accounts for the remaining 20%.
- Half-life
- Not Available
- Clearance
- Not Available
- Adverse Effects
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Too rapid injection may produce lowering of blood pressure and cardiac syncope. Persistent hypercalcemia from overdosage of calcium is unlikely because of rapid excretion.
- Affected organisms
- Humans and other mammals
- 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 softwareAbciximab The therapeutic efficacy of Calcium chloride can be decreased when used in combination with Abciximab. Acebutolol The therapeutic efficacy of Acebutolol can be decreased when used in combination with Calcium chloride. Acenocoumarol The therapeutic efficacy of Calcium chloride can be decreased when used in combination with Acenocoumarol. Acetyldigitoxin Calcium chloride may increase the arrhythmogenic and cardiotoxic activities of Acetyldigitoxin. Alendronic acid The serum concentration of Alendronic acid can be decreased when it is combined with Calcium chloride. Alfacalcidol The risk or severity of adverse effects can be increased when Calcium chloride is combined with Alfacalcidol. Alpha-1-proteinase inhibitor Alpha-1-proteinase inhibitor may increase the thrombogenic activities of Calcium chloride. Alteplase The therapeutic efficacy of Calcium chloride can be decreased when used in combination with Alteplase. Aminocaproic acid The risk or severity of adverse effects can be increased when Aminocaproic acid is combined with Calcium chloride. Amiodarone The therapeutic efficacy of Amiodarone can be decreased when used in combination with Calcium chloride. 
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- No interactions found.
Products
Comprehensive & structured drug product infoFrom application numbers to product codes, connect different identifiers through our commercial datasets.Easily connect various identifiers back to our datasets- Product Ingredients
Ingredient UNII CAS InChI Key Calcium chloride dihydrate M4I0D6VV5M 10035-04-8 LLSDKQJKOVVTOJ-UHFFFAOYSA-L Calcium chloride hexahydrate 1D898P42YW 7774-34-7 Not applicable - Active Moieties
Name Kind UNII CAS InChI Key Calcium unknown SY7Q814VUP 7440-70-2 OYPRJOBELJOOCE-UHFFFAOYSA-N Chloride ion ionic Q32ZN48698 16887-00-6 VEXZGXHMUGYJMC-UHFFFAOYSA-M Calcium cation ionic 2M83C4R6ZB 14127-61-8 BHPQYMZQTOCNFJ-UHFFFAOYSA-N - International/Other Brands
- Jarcal / LiquiCal-D 400
- Brand Name Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Calciject Inj 100mg/ml Liquid Intravenous Omega Laboratories Ltd 1990-12-31 Not applicable Canada 
Calcium Chloride Injection, solution 100 mg/1mL Intravenous; Intraventricular Hospira, Inc. 2006-01-24 Not applicable US 
Calcium Chloride Injection, solution 20 mg/1mL Intravenous Cantrell Drug Company 2011-03-08 Not applicable US Calcium Chloride Injection, solution 100 mg/1mL Intravenous HF Acquisition Co LLC, DBA HealthFirst 2020-07-10 Not applicable US Calcium Chloride Injection, solution 100 mg/1mL Intravenous; Intraventricular HF Acquisition Co LLC, DBA HealthFirst 2018-09-13 Not applicable US Calcium Chloride Injection, solution 100 mg/1mL Intravenous Cardinal Health 2011-03-09 2019-11-30 US Calcium Chloride Injection 100 mg/1mL Parenteral Amphastar Pharmaceuticals, Inc. 1990-01-02 2009-12-31 US Calcium Chloride Injection 100 mg/1mL Intravenous; Intraventricular Medical Purchasing Solutions, Llc 1973-05-01 Not applicable US Calcium Chloride Injection, solution 100 mg/1mL Intravenous Cardinal Health 2011-06-14 2014-02-28 US Calcium Chloride Injection, solution 100 mg/1mL Intravenous; Intraventricular Cardinal Health 1984-09-17 2019-04-30 US - Generic Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Calcium Chloride Injection, solution 100 mg/1mL Intravenous Civica, Inc. 2021-04-02 Not applicable US Calcium Chloride Injection 100 mg/1mL Intravenous; Intraventricular International Medication Systems, Limited 2018-07-08 Not applicable US Calcium Chloride Injection, solution 100 mg/1mL Intravenous AMERICAN REGENT, INC. 2018-02-06 Not applicable US Calcium Chloride Injection 100 mg/1mL Intravenous; Intraventricular A-S Medication Solutions 2018-07-08 2019-04-30 US Calcium Chloride Injection, solution 100 mg/1mL Intravenous Medefil, Inc. 2019-08-22 Not applicable US Calcium Chloride Injection 100 mg/1mL Intravenous; Intraventricular HF Acquisition Co LLC, DBA HealthFirst 2019-12-09 Not applicable US Calcium Chloride Injection, solution 100 mg/1mL Intravenous Medical Purchasing Solutions, Llc 2019-08-22 Not applicable US - Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image (40 Mmols/l) Potassium Chloride In Lactated Ringer's Injection USP Calcium chloride (20 mg) + Sodium lactate (310 mg) + Potassium chloride (328 mg) + Sodium chloride (600 mg) Solution Intravenous Baxter Laboratories 2002-12-11 2016-07-15 Canada 5% Dextrose In Lactated Ringer's Injection Calcium chloride (20 mg) + Dextrose, unspecified form (5 g) + Sodium lactate (310 mg) + Potassium chloride (30 mg) + Sodium chloride (600 mg) Solution Intravenous B. Braun Medical Inc. 1993-12-31 2012-04-10 Canada Acetate Concentrate R07376 Calcium chloride (6.432 g) + Dextrose, unspecified form (38.5 g) + Magnesium chloride (3.558 g) + Potassium chloride (2.609 g) + Sodium acetate (114.8 g) + Sodium chloride (204.5 g) Liquid Hemodialysis Bdh Inc. 1995-12-31 2000-08-03 Canada Acid Concentrate (r04146) Calcium chloride (9.477 g) + Acetic acid (8.846 g) + Dextrose, unspecified form (60.8 g) + Magnesium chloride (3.744 g) + Sodium chloride (184 g) Liquid Hemodialysis Genpharm Ulc 1997-05-21 2004-07-30 Canada Acid Concentrate (r04938) Calcium chloride (9.476 g) + Acetic acid (8.846 g) + Dextrose, unspecified form (60.77 g) + Magnesium chloride (3.744 g) + Potassium chloride (5.491 g) + Sodium chloride (172.2 g) Liquid Hemodialysis Genpharm Ulc 1987-12-31 2001-08-03 Canada Acid Concentrate (r04968) Calcium chloride (3.384 g) + Acetic acid (8.846 g) + Magnesium chloride (3.744 g) + Potassium chloride (5.491 g) + Sodium chloride (180.8 g) Liquid Hemodialysis Genpharm Ulc 1988-12-31 2004-07-30 Canada Acid Concentrate (r04969) Calcium chloride (3.384 g) + Acetic acid (8.846 g) + Magnesium chloride (3.744 g) + Potassium chloride (2.746 g) + Sodium chloride (180.8 g) Liquid Hemodialysis Genpharm Ulc 1988-12-31 2004-07-30 Canada Acid Concentrate (r04974) Calcium chloride (6.769 g) + Acetic acid (8.846 g) + Magnesium chloride (3.744 g) + Potassium chloride (8.237 g) + Sodium chloride (172.2 g) Liquid Hemodialysis Genpharm Ulc 1988-12-31 2004-07-30 Canada Acid Concentrate (r04975) Calcium chloride (6.769 g) + Acetic acid (8.846 g) + Magnesium chloride (3.744 g) + Potassium chloride (2.746 g) + Sodium chloride (172.2 g) Liquid Hemodialysis Genpharm Ulc 1988-12-31 2004-07-30 Canada Acid Concentrate (r04976) Calcium chloride (6.769 g) + Acetic acid (8.846 g) + Magnesium chloride (3.744 g) + Potassium chloride (5.491 g) + Sodium chloride (172.2 g) Liquid Hemodialysis Genpharm Ulc 1988-12-31 2004-07-30 Canada - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image BALANCE %1,5 GLIKOZ 1,25 MMOL / 1 KALSIYUM 2000 ML BIOFIN TORBA Calcium chloride dihydrate (0.1838 g/L) + D-glucose monohydrate (16.5 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L) Solution Intraperitoneal FRESENIUS MEDİKAL HİZMETLER A.Ş. 2020-08-14 Not applicable Turkey 
BALANCE %1,5 GLIKOZ 1,25 MMOL / 1 KALSIYUM 2500 ML BIOFIN TORBA Calcium chloride dihydrate (0.1838 g/L) + D-glucose monohydrate (16.5 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L) Solution Intraperitoneal FRESENIUS MEDİKAL HİZMETLER A.Ş. 2020-08-14 Not applicable Turkey BALANCE %1,5 GLIKOZ 1,75 MMOL / 1 KALSIYUM 2000 ML BIOFIN TORBA Calcium chloride dihydrate (0.2573 g/L) + D-glucose monohydrate (16.5 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L) Solution Intraperitoneal FRESENIUS MEDİKAL HİZMETLER A.Ş. 2020-08-14 Not applicable Turkey BALANCE %1,5 GLIKOZ 1,75 MMOL / 1 KALSIYUM 2500 ML BIOFIN TORBA Calcium chloride dihydrate (0.2573 g/L) + D-glucose monohydrate (16.5 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L) Solution Intraperitoneal FRESENIUS MEDİKAL HİZMETLER A.Ş. 2020-08-14 Not applicable Turkey BALANCE %2,3 GLIKOZ 1,25 MMOL / 1 KALSIYUM 2000 ML BIOFIN TORBA Calcium chloride dihydrate (0.1838 g/L) + D-glucose monohydrate (25 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L) Solution Intraperitoneal FRESENIUS MEDİKAL HİZMETLER A.Ş. 2020-08-14 Not applicable Turkey BALANCE %2,3 GLIKOZ 1,25 MMOL / 1 KALSIYUM 2500 ML BIOFIN TORBA Calcium chloride dihydrate (0.1838 g/L) + D-glucose monohydrate (25 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L) Solution Intraperitoneal FRESENIUS MEDİKAL HİZMETLER A.Ş. 2020-08-14 Not applicable Turkey BALANCE %2,3 GLIKOZ 1,75 MMOL / 1 KALSIYUM 2000 ML BIOFIN TORBA Calcium chloride dihydrate (0.2573 g/L) + D-glucose monohydrate (25 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L) Solution Intraperitoneal FRESENIUS MEDİKAL HİZMETLER A.Ş. 2020-08-14 Not applicable Turkey BALANCE %2,3 GLIKOZ 1,75 MMOL / 1 KALSIYUM 2500 ML BIOFIN TORBA Calcium chloride dihydrate (0.2573 g/L) + D-glucose monohydrate (25 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L) Solution Intraperitoneal FRESENIUS MEDİKAL HİZMETLER A.Ş. 2020-08-14 Not applicable Turkey BALANCE %4,25 GLIKOZ 1,25 MMOL / 1 KALSIYUM 2000 ML BIOFIN TORBA Calcium chloride dihydrate (0.1838 g/L) + D-glucose monohydrate (46.75 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L) Solution Intraperitoneal FRESENIUS MEDİKAL HİZMETLER A.Ş. 2020-08-14 Not applicable Turkey BALANCE %4,25 GLIKOZ 1,25 MMOL / 1 KALSIYUM 2500 ML BIOFIN TORBA Calcium chloride dihydrate (0.1838 g/L) + D-glucose monohydrate (46.75 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L) Solution Intraperitoneal FRESENIUS MEDİKAL HİZMETLER A.Ş. 2020-08-14 Not applicable Turkey
Categories
- ATC Codes
- A12AA07 — Calcium chlorideA11GB01 — Ascorbic acid (vit c) and calcium
- A11GB — Ascorbic acid (vitamin C), combinations
- A11G — ASCORBIC ACID (VITAMIN C), INCL. COMBINATIONS
- A11 — VITAMINS
- A — ALIMENTARY TRACT AND METABOLISM
- Drug Categories
- Acidifiers
- Acids
- Acids, Noncarboxylic
- Alimentary Tract and Metabolism
- Anions
- Blood and Blood Forming Organs
- Blood Coagulation Factors
- Blood Substitutes and Perfusion Solutions
- Calcium Compounds
- Calcium Salts
- Chlorides
- Chlorine Compounds
- Electrolyte Solutions
- Electrolytes
- Genito Urinary System and Sex Hormones
- Hemodialysis Solution
- I.V. Solution Additives
- Ions
- Mineral Supplements
- Phosphate Binder
- Replacement Preparations
- Supplements
- Urologicals
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of inorganic compounds known as alkaline earth metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a lanthanide.
- Kingdom
- Inorganic compounds
- Super Class
- Mixed metal/non-metal compounds
- Class
- Alkaline earth metal salts
- Sub Class
- Alkaline earth metal chlorides
- Direct Parent
- Alkaline earth metal chlorides
- Alternative Parents
- Inorganic chloride salts / Inorganic calcium salts
- Substituents
- Alkaline earth metal chloride / Inorganic calcium salt / Inorganic chloride salt / Inorganic salt
- Molecular Framework
- Not Available
- External Descriptors
- inorganic chloride, calcium salt (CHEBI:3312)
Chemical Identifiers
- UNII
- OFM21057LP
- CAS number
- 10043-52-4
- InChI Key
- UXVMQQNJUSDDNG-UHFFFAOYSA-L
- InChI
- InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
- IUPAC Name
- calcium dichloride
- SMILES
- [Cl-].[Cl-].[Ca++]
References
- Synthesis Reference
Silvano Grosso, Kenneth E. Nelson, "Method for preparing liquid feed supplements containing calcium chloride." U.S. Patent US3962484, issued August, 1973.
US3962484- General References
- Not Available
- External Links
- KEGG Compound
- C08130
- PubChem Compound
- 5284359
- PubChem Substance
- 46507257
- ChemSpider
- 23237
- 1667640
- ChEBI
- 3312
- ChEMBL
- CHEMBL1200668
- PharmGKB
- PA448729
- RxList
- RxList Drug Page
- Wikipedia
- Calcium_chloride
- AHFS Codes
- 40:34.00* — Hemodialysis Solution
- 40:12.00 — Replacement Preparations
- MSDS
- Download (74.1 KB)
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment APD / Continuous ambulatory peritoneal dialysis therapy / Diabetes / ESRD 1 4 Completed Treatment Cesarean Section / Hypotension / Pregnant State / Spinal Anaesthesia 1 4 Completed Treatment Chronic Kidney Disease (CKD) / Peritoneal dialysis therapy 1 4 Completed Treatment Chronic Renal Failure (CRF) 1 4 Completed Treatment Chronic Renal Failure (CRF) / Peritoneal Membrane Disorder 1 4 Completed Treatment Coronary Artery Bypass Grafting (CABG) / Valve Surgery 1 4 Completed Treatment Coronary Artery Disease (CAD) / Valvular Heart Disease 1 4 Completed Treatment Dehydration 1 4 Completed Treatment Fluid Overload / Postoperative Complications 1 4 Completed Treatment Goal Directed Fluid Therapy 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- American Regent
- AstraZeneca Inc.
- Baxter International Inc.
- Cardinal Health
- General Injectables and Vaccines Inc.
- Hospira Inc.
- J T Baker
- Luitpold Pharmaceuticals Inc.
- Physicians Total Care Inc.
- Spectrum Pharmaceuticals
- Dosage Forms
Form Route Strength Solution Hemodialysis 0.257 g/1000ml Solution Irrigation; Parenteral Powder, for solution Intraocular Solution Intraocular Solution Ophthalmic Kit; solution Intraocular Liquid Ophthalmic Liquid Intravenous Injection, solution Parenteral Injection, solution, concentrate Intravenous Solution, concentrate Parenteral Injection, solution, concentrate Intravenous; Parenteral Injection Intravenous 100 mg/1mL Injection Intravenous; Intraventricular 100 mg/1mL Injection Parenteral 100 mg/1mL Injection, solution Intravenous 100 mg/1mL Injection, solution Intravenous 20 mg/1mL Injection, solution Intravenous; Intraventricular 100 mg/1mL Solution Intravenous Powder, for solution Hemodialysis Powder Hemodialysis Solution Parenteral Injection, solution Intravenous 100 MMOL/L Solution Intra-arterial Solution Extracorporeal Solution Intravenous Injection, solution Parenteral Solution Irrigation Solution Intraperitoneal Injection Intravenous Solution Intraperitoneal; Irrigation Injection, solution Intraperitoneal Solution Parenteral Solution Intravenous 4.21 g/1000ml Solution Intrathecal Injection Intrathecal Emulsion Parenteral Solution, concentrate Hemodialysis Spray Oral Aerosol, spray Oral Liquid Hemodialysis Solution Oral Liquid Intraperitoneal Solution Hemodialysis; Intraperitoneal Liquid Intraocular Injection, emulsion Intravenous Liquid Irrigation Solution, for slush Irrigation Solution Intravenous; Irrigation Liquid Buccal Spray Buccal Injection, solution Hemodialysis; Intravenous Kit; solution Intraocular; Irrigation Injection, emulsion Parenteral Injection, emulsion; injection, solution Intravenous Emulsion Intravenous Injection, solution Injection, solution, concentrate Intravenous Emulsion Intravenous 4 g Solution Intraocular; Ophthalmic Solution Extracorporeal; Intrabiliary; Intracardiac Rinse Dental Emulsion Intravenous 3 g Injection, solution Intravenous Injection, solution Intra-arterial Liquid Intravenous Kit Hemodialysis Solution Hemodialysis; Intravenous Solution Hemodialysis Kit; solution Topical Solution Intravenous 0.1 g/500ml Solution Irrigation; Topical Irrigant Irrigation Solution Buccal; Oral; Topical Aerosol Oral Powder, for solution Topical Injection Parenteral Solution Intraocular; Irrigation Kit Topical Powder Topical Kit; solution Solution Topical Powder Soft tissue Solution - Prices
Unit description Cost Unit SureStep Test 25 Strip Box 31.92USD box Calcium chloride powder 0.44USD g Calcium chloride 10% vial 0.18USD ml Calcium chloride granules 0.1USD g Calcium chloride 10% ampul 0.07USD ml DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.- Patents
Patent Number Pediatric Extension Approved Expires (estimated) Region US6077836 No 2000-06-20 2017-06-20 US US6248726 No 2001-06-19 2018-06-19 US US7084130 No 2006-08-01 2021-11-29 US
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 782 °C Not Available water solubility 0.745 g/mL (at 20 °C) Not Available - Predicted Properties
Property Value Source Water Solubility 21.4 mg/mL ALOGPS logP 1.08 ALOGPS logP -0.57 ChemAxon logS -0.71 ALOGPS pKa (Strongest Acidic) 3.09 ChemAxon Physiological Charge 2 ChemAxon Hydrogen Acceptor Count 0 ChemAxon Hydrogen Donor Count 0 ChemAxon Polar Surface Area 0 Å2 ChemAxon Rotatable Bond Count 0 ChemAxon Refractivity 0 m3·mol-1 ChemAxon Polarizability 1.78 Å3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9445 Blood Brain Barrier + 0.975 Caco-2 permeable + 0.6764 P-glycoprotein substrate Non-substrate 0.9039 P-glycoprotein inhibitor I Non-inhibitor 0.9891 P-glycoprotein inhibitor II Non-inhibitor 0.9866 Renal organic cation transporter Non-inhibitor 0.9196 CYP450 2C9 substrate Non-substrate 0.8116 CYP450 2D6 substrate Non-substrate 0.717 CYP450 3A4 substrate Non-substrate 0.7571 CYP450 1A2 substrate Non-inhibitor 0.7506 CYP450 2C9 inhibitor Non-inhibitor 0.8587 CYP450 2D6 inhibitor Non-inhibitor 0.9306 CYP450 2C19 inhibitor Non-inhibitor 0.8304 CYP450 3A4 inhibitor Non-inhibitor 0.956 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9002 Ames test Non AMES toxic 0.6808 Carcinogenicity Carcinogens 0.764 Biodegradation Ready biodegradable 0.6815 Rat acute toxicity 1.9786 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9433 hERG inhibition (predictor II) Non-inhibitor 0.9634
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Plays a role in the export of proteins that lack a signal peptide and are secreted by an alternative pathway. Binds two calcium ions per subunit. Binds one copper ion. Binding of one copper ion doe...
- Gene Name
- S100A13
- Uniprot ID
- Q99584
- Uniprot Name
- Protein S100-A13
- Molecular Weight
- 11471.095 Da
References
- Sivaraja V, Kumar TK, Rajalingam D, Graziani I, Prudovsky I, Yu C: Copper binding affinity of S100A13, a key component of the FGF-1 nonclassical copper-dependent release complex. Biophys J. 2006 Sep 1;91(5):1832-43. Epub 2006 Jun 9. [PubMed:16766622]
Drug created on June 13, 2005 13:24 / Updated on April 17, 2021 10:37