Calcium carbonate

Identification

Summary

Calcium carbonate is an ionic compound used as a calcium supplement or antacid used for the symptomatic relief of heartburn, acid indigestion, and sour stomach.

Brand Names
Alka-seltzer Fruit Chews, Alka-seltzer Heartburn Plus Gas Relief, Alkums, Bayer Womens, Cal Gest, Chooz, Diphen, Duo Fusion, Healthy Mama, Irospan 24/6 Kit, Magnebind 400 Rx, Meijer, Mi-acid Double Strength, Mylanta Tonight, Nutralox, Pepcid Complete, Pepto-bismol, Phazyme, Pregvit, Rolaids Advanced, Rolaids Reformulated Aug 2006, Rolaids Ultra Strength, Titralac, Titralac Plus, Tums
Generic Name
Calcium carbonate
DrugBank Accession Number
DB06724
Background

Calcium carbonate is an inorganic salt used as an antacid. It is a basic compound that acts by neutralizing hydrochloric acid in gastric secretions. Subsequent increases in pH may inhibit the action of pepsin. An increase in bicarbonate ions and prostaglandins may also confer cytoprotective effects. Calcium carbonate may also be used as a nutritional supplement or to treat hypocalcemia.

Type
Small Molecule
Groups
Approved, Investigational
Structure
Weight
Average: 100.087
Monoisotopic: 99.947335021
Chemical Formula
CCaO3
Synonyms
  • Calcio carbonato
  • Calcium carbonate
  • Calcium carbonate (1:1)
  • Calciumcarbonat
  • Carbonate de calcium
  • Carbonato de calcio
  • Carbonic acid calcium salt (1:1)
  • Chalk
  • Kalziumkarbonat
  • Kohlensaurer kalk
  • Precipitated calcium carbonate
External IDs
  • CI 77220
  • E 170
  • E-170(I)
  • INS NO.170(I)
  • INS-170(I)
  • NDI 443

Pharmacology

Indication

For relief of heartburn and acid indigestion. May also be used as a nutritional supplement or to treat hypocalcemia.

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Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form
Used in combination to treat Acid reflux Combination Product in combination with: Simethicone (DB09512) ••• ••• ••••••
Symptomatic treatment of Acid indigestion ••• •••
Used in combination to treat Bloating Combination Product in combination with: Simethicone (DB09512) ••• ••• ••••••
Used in combination to treat Calcium deficiency Combination Product in combination with: Cholecalciferol (DB00169), Calcium lactate gluconate (DB13365) ••• ••• ••••••• ••••••••••••
Used in combination to treat Calcium deficiency Combination Product in combination with: Calcium lactate (DB13231), Calcium gluconate (DB11126) ••• ••• ••••••• ••••••••••••
Associated Therapies
Contraindications & Blackbox Warnings
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Pharmacodynamics

Gastric-peptic disease occurs as a result of an imbalance between protective factors, such as mucus, bicarbonate, and prostaglandin secretion, and aggressive factors, such as hydrochloric acid, pepsin, and Helicobacter pylori (H. pylori). Antacids work by restoring acid-base balance, attenuating the pepsin activity and increasing bicarbonate and prostaglandin secretion. The acid-neutralizing capacity of calcium carbonate is 58 mEq/15 ml. When used as a nutritional supplement, calcium carbonate acts by directly increasing calcium stores within the body.

Mechanism of action

Calcium carbonate is a basic inorganic salt that acts by neutralizing hydrochloric acid in gastric secretions. It also inhibits the action of pepsin by increasing the pH and via adsorption. Cytoprotective effects may occur through increases in bicarbonate ion (HCO3-) and prostaglandins. Neutralization of hydrochloric acid results in the formation of calcium chloride, carbon dioxide and water. Approximately 90% of calcium chloride is converted to insoluble calcium salts (e.g. calcium carbonate and calcium phosphate).

Absorption

Maximal absorption occurs at doses of 500 mg or less taken with food. Oral bioavailability depends on intestinal pH, the presence of food and dosage.

Volume of distribution

Calcium is rapidly distributed taken up by skeletal tissues following absorption and distribution into extracellular fluids. Bone contains 99% of the body's calcium and the remaining 1% is approximately equally distributed between intracellular and extracellular fluids.

Protein binding

Calcium acts as a co-factor to numerous enzymes.

Metabolism

None.

Route of elimination

Excreted mainly in the feces. The majority of renally filtered calcium is reabsorbed in the ascending limb of the loop of Henle and the proximal and distal convoluted tubules. Also secreted by sweat glands.

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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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
Acebutolol The therapeutic efficacy of Acebutolol can be decreased when used in combination with Calcium carbonate.
Acetaminophen Calcium carbonate can cause a decrease in the absorption of Acetaminophen resulting in a reduced serum concentration and potentially a decrease in efficacy.
Acetophenazine Calcium carbonate can cause a decrease in the absorption of Acetophenazine resulting in a reduced serum concentration and potentially a decrease in efficacy.
Acetyldigitoxin Calcium carbonate may increase the arrhythmogenic and cardiotoxic activities of Acetyldigitoxin.
Alfacalcidol The risk or severity of adverse effects can be increased when Alfacalcidol is combined with Calcium carbonate.
Food Interactions
  • Take with or without food. Food increases the absorption of calcium carbonate, which may be advantageous in its use as a calcium supplement.

Products

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Active Moieties
Name Kind UNII CAS InChI Key
Calcium unknown SY7Q814VUP 7440-70-2 OYPRJOBELJOOCE-UHFFFAOYSA-N
Carbonate ion ionic 7UJQ5OPE7D 3812-32-6 BVKZGUZCCUSVTD-UHFFFAOYSA-L
Calcium cation ionic 2M83C4R6ZB 14127-61-8 BHPQYMZQTOCNFJ-UHFFFAOYSA-N
Product Images
Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image
7 Select Antacid Tablet, chewable 750 mg/1 Oral 7-Eleven 2014-09-11 2020-05-01 US flag
AI kungang Liquid 55 g/100mL Topical TheJoenSpace Co,. LTD 2021-04-14 Not applicable US flag
Alka Seltzer Tablet, chewable 750 mg/1 Oral Bestco, Inc. 2013-02-08 Not applicable US flag
Alka-Seltzer Cool Action Extra Strength ReliefChews Mint Tablet, chewable 750 mg/1 Oral Bayer Healthcare Llc. 2019-03-03 Not applicable US flag
Alka-Seltzer Cool Action Heartburn Relief Mint Gum, chewing 750 mg/1 Oral Bayer Healthcare Llc. 2020-03-01 Not applicable US flag
Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image
28tak Gum Care Tooth Calcium carbonate (36.0 g/120g) + Alcloxa (0.12 g/120g) + Aminocaproic acid (0.12 g/120g) + Calcium phosphate, dibasic (0.12 g/120g) Paste, dentifrice Oral Elmeditec Co.,Ltd 2018-07-01 Not applicable US flag
4240 First Aid Kit Calcium carbonate (420 mg/1) + Acetaminophen (325 mg/1) + Acetylsalicylic acid (325 mg/1) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzethonium chloride (0.2 g/100g) + Benzethonium chloride (0.2 g/100g) + Benzocaine (10 g/100g) + Benzocaine (10 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Menthol (0.33 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL) Kit Ophthalmic; Oral; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US flag
4248 First Aid Kit Calcium carbonate (420 mg/1) + Acetaminophen (325 mg/1) + Acetaminophen (110 mg/1) + Acetylsalicylic acid (162 mg/1) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzethonium chloride (0.2 g/100g) + Benzethonium chloride (0.2 g/100g) + Benzocaine (10 g/100g) + Benzocaine (10 g/100g) + Caffeine (32.4 mg/1) + Ethanol (0.5 mL/1mL) + Hydrocortisone acetate (1 g/100g) + Hydrocortisone acetate (1 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL) + Menthol (0.33 g/100g) + Neomycin sulfate (3.5 mg/1g) + Phenylephrine hydrochloride (5 mg/1) + Polymyxin B sulfate (5000 [iU]/1g) + Salicylamide (152 mg/1) + Tetrahydrozoline hydrochloride (0.05 g/100mL) + Water (98.6 mL/100mL) Kit Ophthalmic; Oral; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US flag
4327 First Aid Kit Calcium carbonate (420 mg/1) + Acetaminophen (325 mg/1) + Ammonia (0.045 g/0.3mL) + Benzalkonium chloride (0.13 g/100g) + Benzalkonium chloride (1.3 mg/1mL) + Ethanol (0.5 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL) + Lidocaine hydrochloride (0.5 g/100g) + Neomycin sulfate (3.5 mg/1g) + Water (98.6 mL/100mL) Kit Ophthalmic; Oral; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US flag
4329 First Aid Kit Calcium carbonate (420 mg/1) + Acetaminophen (500 mg/1) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzalkonium chloride (0.13 g/100g) + Benzethonium chloride (0.2 g/100g) + Benzethonium chloride (0.2 g/100g) + Benzocaine (10 g/100g) + Benzocaine (10 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Lidocaine hydrochloride (0.5 g/100g) + Menthol (0.33 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL) Kit Ophthalmic; Oral; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US flag
Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image
28tak Gum Care Tooth Calcium carbonate (36.0 g/120g) + Alcloxa (0.12 g/120g) + Aminocaproic acid (0.12 g/120g) + Calcium phosphate, dibasic (0.12 g/120g) Paste, dentifrice Oral Elmeditec Co.,Ltd 2018-07-01 Not applicable US flag
4240 First Aid Kit Calcium carbonate (420 mg/1) + Acetaminophen (325 mg/1) + Acetylsalicylic acid (325 mg/1) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzethonium chloride (0.2 g/100g) + Benzethonium chloride (0.2 g/100g) + Benzocaine (10 g/100g) + Benzocaine (10 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Menthol (0.33 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL) Kit Ophthalmic; Oral; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US flag
4248 First Aid Kit Calcium carbonate (420 mg/1) + Acetaminophen (325 mg/1) + Acetaminophen (110 mg/1) + Acetylsalicylic acid (162 mg/1) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzethonium chloride (0.2 g/100g) + Benzethonium chloride (0.2 g/100g) + Benzocaine (10 g/100g) + Benzocaine (10 g/100g) + Caffeine (32.4 mg/1) + Ethanol (0.5 mL/1mL) + Hydrocortisone acetate (1 g/100g) + Hydrocortisone acetate (1 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL) + Menthol (0.33 g/100g) + Neomycin sulfate (3.5 mg/1g) + Phenylephrine hydrochloride (5 mg/1) + Polymyxin B sulfate (5000 [iU]/1g) + Salicylamide (152 mg/1) + Tetrahydrozoline hydrochloride (0.05 g/100mL) + Water (98.6 mL/100mL) Kit Ophthalmic; Oral; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US flag
4327 First Aid Kit Calcium carbonate (420 mg/1) + Acetaminophen (325 mg/1) + Ammonia (0.045 g/0.3mL) + Benzalkonium chloride (0.13 g/100g) + Benzalkonium chloride (1.3 mg/1mL) + Ethanol (0.5 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL) + Lidocaine hydrochloride (0.5 g/100g) + Neomycin sulfate (3.5 mg/1g) + Water (98.6 mL/100mL) Kit Ophthalmic; Oral; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US flag
4329 First Aid Kit Calcium carbonate (420 mg/1) + Acetaminophen (500 mg/1) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzalkonium chloride (0.13 g/100g) + Benzethonium chloride (0.2 g/100g) + Benzethonium chloride (0.2 g/100g) + Benzocaine (10 g/100g) + Benzocaine (10 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Lidocaine hydrochloride (0.5 g/100g) + Menthol (0.33 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL) Kit Ophthalmic; Oral; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US flag

Categories

ATC Codes
A02AC01 — Calcium carbonate A12AA04 — Calcium carbonate A11GB01 — Ascorbic acid (vit c) and calcium
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Organic carbonic acids and derivatives
Sub Class
Organic carbonic acids
Direct Parent
Organic carbonic acids
Alternative Parents
Carbonate salts / Organic calcium salts / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aliphatic acyclic compound / Carbonate salt / Carbonic acid / Carbonyl group / Hydrocarbon derivative / Organic calcium salt / Organic oxide / Organic oxygen compound / Organic salt / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
calcium salt, one-carbon compound, carbonate salt (CHEBI:3311)
Affected organisms
  • Humans and other mammals

Chemical Identifiers

UNII
H0G9379FGK
CAS number
471-34-1
InChI Key
VTYYLEPIZMXCLO-UHFFFAOYSA-L
InChI
InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
IUPAC Name
calcium carbonate
SMILES
[Ca++].[O-]C([O-])=O

References

Synthesis Reference

Nobuo Someya, Tadao Kitazato, Takao Fujikawa, Yasuo Manabe, "Sintered body of calcium carbonate and process for producing same." U.S. Patent US5187125, issued May, 1940.

US5187125
General References
  1. Cruz Verde: Caprimida D (calcium citrate/vitamin D) [Link]
KEGG Drug
D00932
KEGG Compound
C08129
PubChem Compound
10112
PubChem Substance
310264878
ChemSpider
9708
RxNav
1897
ChEBI
3311
ChEMBL
CHEMBL1200539
PharmGKB
PA448726
Wikipedia
Calcium_carbonate

Clinical Trials

Clinical Trials

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Form Route Strength
Paste, dentifrice Oral
Kit Ophthalmic; Oral; Respiratory (inhalation); Topical
Kit; liquid; ointment; spray; tablet Ophthalmic; Oral; Topical
Granule, effervescent; kit; tablet Oral
Kit Oral
Tablet, chewable Buccal 100 mg
Liquid Topical 55 g/100mL
Gum, chewing Oral 750 mg/1
Tablet Oral 1000 mg/1
Tablet Oral 500 mg/1
Tablet Oral 750 mg/1
Tablet, chewable Oral 1000 mg/1
Tablet, chewable Oral 750 1/1
Lozenge Oral 750 mg/1
Paste Dental 36.4 g/130g
Paste, dentifrice Dental 0.1 g/100g
Injection, solution Parenteral
Powder, for solution Oral
Tablet Oral 53 mg/1001
Tablet Oral 500.00 mg
Tablet, chewable Oral 500 mg/1
Granule Oral
Tablet, effervescent Oral 1 G
Tablet, effervescent Oral 1000 mg/1
Tablet, effervescent Oral 500 mg/1
Tablet Oral 600 mg/1
Tablet, effervescent Oral
Tablet Oral 600 mg / tab
Tablet Oral 650 mg / tab
Capsule Oral 400 mg / cap
Powder Oral 1 g/1g
Suspension Oral 1250 mg/5mL
Tablet Oral 1250 mg/1
Tablet Oral 648 mg/1
Tablet Oral 246 mg / tab
Tablet Oral 1.5 g / tab
Tablet Oral 1.5 g
Tablet, coated Oral 500 mg
Tablet Oral 625 mg / tab
Tablet Oral 1.25 g / tab
Tablet Oral 420 mg
Capsule Oral 500 mg
Tablet Oral 600.000 mg
Tablet, chewable Buccal 500 mg
Tablet, coated Oral 600 m
Granule, effervescent Oral 2500 MG
Tablet, film coated Oral 500 mg/1
Tablet, effervescent Oral 240 mg
Tablet, effervescent Oral 24000000 mg
Liquid Topical 3 mg/100mL
Tablet, chewable Oral 1177 mg/1
Tablet Oral 266.7 mg
Gum, chewing Oral 500 mg/1
Tablet Oral 45 mg/1001
Tablet Oral 45 mg/1
Powder Oral 216.7 mg / g
Tablet Oral 10 mg/1001
Granule Oral 750 mg/1g
Capsule Oral 500 mg / cap
Cream; kit; liquid; ointment; tablet; tablet, chewable; tablet, film coated Oral; Topical
Tablet, chewable Buccal 470 mg
Paste Oral 0.22 g/100g
Tablet Oral 500 mg
Tablet, effervescent Oral 500 mg
Tablet, effervescent Oral
Tablet Buccal
Drug delivery system Oral
Tablet Oral 300 mg / tab
Paste, dentifrice Topical
Liquid Oral 1250 mg/40mL
Solution Oral 1250 mg/34mL
Paste, dentifrice Topical 38.0 g/100g
Powder, dentifrice Oral
Tablet, chewable Buccal
Gel Oral
Suspension Oral 325 MG/10ML
Tablet, chewable Oral 187.5 MG
Suspension Oral 160 MG/10ML
Tablet, chewable Oral 80 MG
Tablet, chewable Buccal 750 mg
Suspension Oral
Capsule, delayed release Oral
Tablet, chewable Oral
Powder Oral 1000 mg/1
Tablet, coated Oral 150 mcg
Tablet, film coated Oral 600 mg/1
Paste Oral
Tablet, chewable Oral 350 mg/492mg
Paste Dental 30 g/100g
Tablet, coated Oral
Paste, dentifrice Dental 31.25 g/100g
Kit; tablet; tablet, film coated Oral
Paste, dentifrice Dental 40 g/100g
Granule, effervescent Oral
Capsule, coated Oral
Tablet Oral 56 mg/1001
Syrup Oral 1.25 g
Liquid; tablet Oral
Suspension
Tablet Transmucosal
Capsule Oral
Tablet, chewable Oral
Tablet, chewable Oral 420 1/1
Liquid Oral
Tablet Oral 63 mg/1001
Paste Dental
Capsule, gelatin coated; kit; tablet Oral
Kit; tablet Oral
Tablet Oral 64 mg/1001
Paste Dental 51 g/150g
Powder Oral
Tablet, chewable Oral 600 mg
Tablet Oral 250 mg / tab
Tablet Oral 250 mg
Tablet, film coated Oral 400 mg
Tablet, coated Oral 500 mg/1
Tablet, chewable Oral 400 mg/1
Suspension Oral 8 g
Tablet Oral 400 mg
Tablet, chewable Oral 420 mg/1
Tablet, film coated Oral
Capsule, liquid filled; kit; tablet Oral
Capsule, gelatin coated Oral
Pill Oral
Liquid Topical
Tablet, film coated Oral 500 mg
Tablet Oral
Wafer Oral
Tablet Oral 200 mg / tab
Tablet Oral
Tablet, chewable Oral 800 mg
Tablet Oral 680 mg
Tablet, orally disintegrating Oral
Bar, chewable Oral 1177 mg/1
Lozenge Oral
Bar, chewable Oral
Gel, dentifrice Oral
Powder Topical
Cream Rectal
Tablet, chewable Oral 648 mg/1
Powder Topical
Paste, dentifrice Dental 15.85 g/100g
Paste, dentifrice Dental
Tablet, chewable Oral 750 mg/1
Tablet, extended release Oral
Kit; tablet; tablet, coated Oral
Kit Oral 4 g/237mL
Powder, for solution Oral 4 g/237mL
Tablet Oral 420 mg/1
Tablet Oral 420 mg / tab
Capsule; kit; tablet, film coated Oral
Lozenge Oral 200 mg/7g
Tablet Oral 500.000 mg
Tablet Oral 500 mg / tab
Tablet Oral 750 mg
Tablet Oral 750 mg / tab
Tablet Oral 500.02 mg
Tablet Oral 400 mg / tab
Liquid Oral 400 mg / tsp
Cream Oral
Capsule; kit; tablet Oral
Capsule, liquid filled Oral
Kit; tablet, chewable Oral; Topical
Tablet, film coated Oral 600 mg
Capsule Oral 350 mg
Tablet, film coated Oral 1000 mg
Capsule Oral 835 mg
Tablet Oral 1000 mg
Tablet Oral 600 mg
Tablet, coated Oral 350 mg
Tablet, coated Oral 835 mg
Tablet, film coated Oral 1500 mg
Tablet, chewable Oral 1000 mg
Tablet, film coated Oral 1250 mg
Tablet, film coated
Tablet Oral 350 mg
Lotion
Powder
Tablet, chewable Oral 750 mg
Tablet, effervescent Oral 1250 mg
Tablet, chewable Oral 1250 mg
Tablet, chewable Oral 1500 mg
Tablet Oral 650 mg
Tablet, chewable Oral 500 mg
Capsule Oral 625 mg
Tablet Oral 1250 mg
Tablet, coated Oral 625 mg
Tablet, coated Oral 1000 mg
Tablet, coated Oral 1250 mg
Tablet, effervescent
Tablet Oral 835 mg
Tablet, coated Oral 600 mg
Tablet, effervescent Oral 1000 mg
Tablet
Tablet Oral 1500 mg
Prices
Not Available
Patents
Patent Number Pediatric Extension Approved Expires (estimated) Region
US6814978 Yes 2004-11-09 2022-02-26 US flag
US6165513 Yes 2000-12-26 2018-12-10 US flag
US5994329 Yes 1999-11-30 2019-01-17 US flag
US6015801 Yes 2000-01-18 2019-01-17 US flag
US6432932 Yes 2002-08-13 2019-01-17 US flag
US6465443 Yes 2002-10-15 2019-02-14 US flag
US5989588 Yes 1999-11-23 2018-03-30 US flag

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
Property Value Source
Water Solubility 128.0 mg/mL ALOGPS
logP 0.47 ALOGPS
logP 0.25 Chemaxon
logS -0.08 ALOGPS
pKa (Strongest Acidic) 3.5 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
Spectrum Spectrum Type Splash Key
Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0002-9000000000-155f3b1435b7efbb0e7b
Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source
[M-H]- 107.48482
predicted
DeepCCS 1.0 (2019)
[M+H]+ 109.512405
predicted
DeepCCS 1.0 (2019)
[M+Na]+ 117.703636
predicted
DeepCCS 1.0 (2019)

Drug created at August 09, 2010 17:35 / Updated at June 09, 2024 12:58