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 TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used in combination to treatAcid refluxCombination Product in combination with: Simethicone (DB09512)••• •••••••••
Symptomatic treatment ofAcid indigestion••• •••
Used in combination to treatBloatingCombination Product in combination with: Simethicone (DB09512)••• •••••••••
Used in combination to treatCalcium deficiencyCombination Product in combination with: Cholecalciferol (DB00169), Calcium lactate gluconate (DB13365)••• •••••••••• ••••••••••••
Used in combination to treatCalcium deficiencyCombination 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.
DrugInteraction
AcebutololThe therapeutic efficacy of Acebutolol can be decreased when used in combination with Calcium carbonate.
AcetaminophenCalcium carbonate can cause a decrease in the absorption of Acetaminophen resulting in a reduced serum concentration and potentially a decrease in efficacy.
AcetophenazineCalcium carbonate can cause a decrease in the absorption of Acetophenazine resulting in a reduced serum concentration and potentially a decrease in efficacy.
AcetyldigitoxinCalcium carbonate may increase the arrhythmogenic and cardiotoxic activities of Acetyldigitoxin.
AlfacalcidolThe 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
NameKindUNIICASInChI Key
CalciumunknownSY7Q814VUP7440-70-2OYPRJOBELJOOCE-UHFFFAOYSA-N
Carbonate ionionic7UJQ5OPE7D3812-32-6BVKZGUZCCUSVTD-UHFFFAOYSA-L
Calcium cationionic2M83C4R6ZB14127-61-8BHPQYMZQTOCNFJ-UHFFFAOYSA-N
Product Images
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
7 Select AntacidTablet, chewable750 mg/1Oral7-Eleven2014-09-112020-05-01US flag
AI kungangLiquid55 g/100mLTopicalTheJoenSpace Co,. LTD2021-04-14Not applicableUS flag
Alka SeltzerTablet, chewable750 mg/1OralBestco, Inc.2013-02-08Not applicableUS flag
Alka-Seltzer Cool Action Extra Strength ReliefChews MintTablet, chewable750 mg/1OralBayer Healthcare Llc.2019-03-03Not applicableUS flag
Alka-Seltzer Cool Action Heartburn Relief MintGum, chewing750 mg/1OralBayer Healthcare Llc.2020-03-01Not applicableUS flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
28tak Gum Care ToothCalcium carbonate (36.0 g/120g) + Alcloxa (0.12 g/120g) + Aminocaproic acid (0.12 g/120g) + Calcium phosphate, dibasic (0.12 g/120g)Paste, dentifriceOralElmeditec Co.,Ltd2018-07-01Not applicableUS flag
4240 First Aid KitCalcium 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)KitOphthalmic; Oral; Respiratory (inhalation); TopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUS flag
4248 First Aid KitCalcium 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)KitOphthalmic; Oral; Respiratory (inhalation); TopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUS flag
4327 First Aid KitCalcium 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)KitOphthalmic; Oral; Respiratory (inhalation); TopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUS flag
4329 First Aid KitCalcium 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)KitOphthalmic; Oral; Respiratory (inhalation); TopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
28tak Gum Care ToothCalcium carbonate (36.0 g/120g) + Alcloxa (0.12 g/120g) + Aminocaproic acid (0.12 g/120g) + Calcium phosphate, dibasic (0.12 g/120g)Paste, dentifriceOralElmeditec Co.,Ltd2018-07-01Not applicableUS flag
4240 First Aid KitCalcium 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)KitOphthalmic; Oral; Respiratory (inhalation); TopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUS flag
4248 First Aid KitCalcium 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)KitOphthalmic; Oral; Respiratory (inhalation); TopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUS flag
4327 First Aid KitCalcium 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)KitOphthalmic; Oral; Respiratory (inhalation); TopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUS flag
4329 First Aid KitCalcium 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)KitOphthalmic; Oral; Respiratory (inhalation); TopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUS flag

Categories

ATC Codes
A02AC01 — Calcium carbonateA12AA04 — Calcium carbonateA11GB01 — 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
FormRouteStrength
Paste, dentifriceOral
KitOphthalmic; Oral; Respiratory (inhalation); Topical
Kit; liquid; ointment; spray; tabletOphthalmic; Oral; Topical
Tablet, chewableBuccal500 mg
Granule, effervescent; kit; tabletOral
KitOral
Tablet, chewableBuccal100 mg
LiquidTopical55 g/100mL
Gum, chewingOral750 mg/1
TabletOral1000 mg/1
TabletOral500 mg/1
TabletOral750 mg/1
Tablet, chewableOral1000 mg/1
Tablet, chewableOral750 1/1
LozengeOral750 mg/1
PasteDental36.4 g/130g
Paste, dentifriceDental0.1 g/100g
Injection, solutionParenteral
Powder, for solutionOral
TabletOral53 mg/1001
Tablet, chewableOral500 mg/1
GranuleOral
Tablet, effervescentOral1 G
Tablet, effervescentOral1000 mg/1
Tablet, effervescentOral500 mg/1
TabletOral600 mg/1
Tablet, effervescentOral
TabletOral600 mg / tab
TabletOral650 mg / tab
CapsuleOral400 mg / cap
PowderOral1 g/1g
SuspensionOral1250 mg/5mL
TabletOral1250 mg/1
TabletOral648 mg/1
TabletOral246 mg / tab
TabletOral1.5 g / tab
TabletOral1.5 g
Tablet, coatedOral500 mg
TabletOral625 mg / tab
TabletOral1.25 g / tab
TabletOral420 mg
CapsuleOral500 mg
TabletOral600.000 mg
Tablet, coatedOral600 m
Granule, effervescentOral2500 MG
Tablet, film coatedOral500 mg/1
Tablet, effervescentOral240 mg
Tablet, effervescentOral24000000 mg
LiquidTopical3 mg/100mL
Tablet, chewableOral1177 mg/1
TabletOral266.7 mg
Gum, chewingOral500 mg/1
TabletOral45 mg/1001
TabletOral45 mg/1
PowderOral216.7 mg / g
TabletOral10 mg/1001
GranuleOral750 mg/1g
CapsuleOral500 mg / cap
Cream; kit; liquid; ointment; tablet; tablet, chewable; tablet, film coatedOral; Topical
Tablet, chewableBuccal470 mg
PasteOral0.22 g/100g
TabletOral500 mg
Tablet, effervescentOral500 mg
Tablet, effervescentOral
TabletBuccal
Drug delivery systemOral
TabletOral300 mg / tab
Paste, dentifriceTopical
LiquidOral1250 mg/40mL
SolutionOral1250 mg/34mL
Paste, dentifriceTopical38.0 g/100g
Powder, dentifriceOral
Tablet, chewableBuccal
GelOral
SuspensionOral325 MG/10ML
Tablet, chewableOral187.5 MG
SuspensionOral160 MG/10ML
Tablet, chewableOral80 MG
Tablet, chewableBuccal750 mg
SuspensionOral
Capsule, delayed releaseOral
Tablet, chewableOral
PowderOral1000 mg/1
Tablet, coatedOral150 mcg
Tablet, film coatedOral600 mg/1
PasteOral
Tablet, chewableOral350 mg/492mg
PasteDental30 g/100g
Tablet, coatedOral
Paste, dentifriceDental31.25 g/100g
Kit; tablet; tablet, film coatedOral
Paste, dentifriceDental40 g/100g
Granule, effervescentOral
Capsule, coatedOral
TabletOral56 mg/1001
SyrupOral1.25 g
Liquid; tabletOral
Suspension
TabletTransmucosal
CapsuleOral
Tablet, chewableOral
Tablet, chewableOral420 1/1
LiquidOral
TabletOral63 mg/1001
PasteDental
Capsule, gelatin coated; kit; tabletOral
Kit; tabletOral
TabletOral64 mg/1001
PasteDental51 g/150g
PowderOral
Tablet, chewableOral600 mg
TabletOral250 mg / tab
TabletOral250 mg
Tablet, film coatedOral400 mg
Tablet, coatedOral500 mg/1
Tablet, chewableOral400 mg/1
SuspensionOral8 g
TabletOral400 mg
Tablet, chewableOral420 mg/1
Tablet, film coatedOral
Capsule, liquid filled; kit; tabletOral
Capsule, gelatin coatedOral
PillOral
LiquidTopical
Tablet, film coatedOral500 mg
TabletOral
WaferOral
TabletOral200 mg / tab
TabletOral
Tablet, chewableOral800 mg
TabletOral680 mg
Tablet, orally disintegratingOral
Bar, chewableOral1177 mg/1
LozengeOral
Bar, chewableOral
Gel, dentifriceOral
PowderTopical
CreamRectal
Tablet, chewableOral648 mg/1
PowderTopical
Paste, dentifriceDental15.85 g/100g
Paste, dentifriceDental
Tablet, chewableOral750 mg/1
Tablet, extended releaseOral
Kit; tablet; tablet, coatedOral
KitOral4 g/237mL
Powder, for solutionOral4 g/237mL
TabletOral420 mg/1
TabletOral420 mg / tab
Capsule; kit; tablet, film coatedOral
LozengeOral200 mg/7g
TabletOral500.000 mg
TabletOral500 mg / tab
TabletOral750 mg
TabletOral750 mg / tab
TabletOral500.02 mg
TabletOral400 mg / tab
LiquidOral400 mg / tsp
CreamOral
Capsule; kit; tabletOral
Capsule, liquid filledOral
Kit; tablet, chewableOral; Topical
Tablet, film coatedOral600 mg
CapsuleOral350 mg
Tablet, film coatedOral1000 mg
CapsuleOral835 mg
TabletOral1000 mg
TabletOral600 mg
Tablet, coatedOral350 mg
Tablet, coatedOral835 mg
Tablet, film coatedOral1500 mg
Tablet, chewableOral1000 mg
Tablet, film coatedOral1250 mg
Tablet, film coated
TabletOral350 mg
Lotion
Powder
Tablet, chewableOral750 mg
Tablet, effervescentOral1250 mg
Tablet, chewableOral1250 mg
Tablet, chewableOral1500 mg
TabletOral650 mg
Tablet, chewableOral500 mg
CapsuleOral625 mg
TabletOral1250 mg
Tablet, coatedOral625 mg
Tablet, coatedOral1000 mg
Tablet, coatedOral1250 mg
Tablet, effervescent
TabletOral835 mg
Tablet, coatedOral600 mg
Tablet, effervescentOral1000 mg
Tablet
TabletOral1500 mg
Prices
Not Available
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)Region
US6814978Yes2004-11-092022-02-26US flag
US6165513Yes2000-12-262018-12-10US flag
US5994329Yes1999-11-302019-01-17US flag
US6015801Yes2000-01-182019-01-17US flag
US6432932Yes2002-08-132019-01-17US flag
US6465443Yes2002-10-152019-02-14US flag
US5989588Yes1999-11-232018-03-30US flag

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility128.0 mg/mLALOGPS
logP0.47ALOGPS
logP0.25Chemaxon
logS-0.08ALOGPS
pKa (Strongest Acidic)3.5Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area63.19 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity31.17 m3·mol-1Chemaxon
Polarizability3.52 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0002-9000000000-155f3b1435b7efbb0e7b
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[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 March 18, 2024 16:48