Record Information
Version1.0
Creation Date2016-05-19 01:56:36 UTC
Update Date2016-11-09 01:09:27 UTC
Accession NumberCHEM004948
Identification
Common NameCALCIUM GLUCONATE
ClassSmall Molecule
DescriptionCalcium gluconate is used as mineral supplement and medication when there is insufficient calcium in the diet. Supplementation may be done to treat or prevent osteoporosis or rickets, consequences of hypocalcemia. It can also be taken by mouth but is not recommended by injection into a muscle. Calcium Gluconate Injection, USP is a sterile, nonpyrogenic supersaturated solution of calcium gluconate for intravenous use only. Each mL contains: Calcium gluconate 94 mg; calcium saccharate (tetrahydrate) 4.5 mg; water for injection q.s. Hydrochloric acid and/or sodium hydroxide may have been added for pH adjustment (6.0 to 8.2). Calcium saccharate provides 6% of the total calcium and stabilizes the supersaturated solution of calcium gluconate. Each 10 mL of the injection provides 93 mg elemental calcium (Ca++) equivalent to 1 g of calcium gluconate.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • OECD HPV Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Calcium gluconic acidGenerator
CalgluconChEMBL, MeSH
Calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acidGenerator
3m Brand OF calcium gluconate monohydrateMeSH
Braun brand OF calcium gluconateMeSH
CBGMeSH
CalciofonMeSH
CalcipotMeSH
Calcium braunMeSH
Calcium gluconateMeSH
CalcivitolMeSH
Chaix et du marais brand OF calcium gluconateMeSH
Coophavet brand OF calcium gluconateMeSH
EbucinMeSH
Flopak plainMeSH
Fresenius kabi brand OF calcium gluconateMeSH
GlucalMeSH
GlucobiogenMeSH
Gluconate de calcium lavoisierMeSH
Gluconate, calciumMeSH
gluconato Calc freseniusMeSH
Merial brand OF calcium gluconateMeSH
Pharmtech brand OF calcium gluconateMeSH
Chemical FormulaC12H22CaO14
Average Molecular Mass430.372 g/mol
Monoisotopic Mass430.064 g/mol
CAS Registry Number299-28-5
IUPAC Namecalcium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
Traditional Namecalcium bis(D-gluconate)
SMILES[Ca++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O
InChI IdentifierInChI=1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1
InChI KeyNEEHYRZPVYRGPP-IYEMJOQQSA-L
Chemical Taxonomy
Description belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar acids and derivatives
Alternative Parents
Substituents
  • Gluconic_acid
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Hydroxy acid
  • Fatty acyl
  • Fatty acid
  • Monosaccharide
  • Carboxylic acid salt
  • Secondary alcohol
  • Organic calcium salt
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Polyol
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxide
  • Organic salt
  • Organic zwitterion
  • Carbonyl group
  • Primary alcohol
  • Aliphatic acyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility44.2 g/LALOGPS
logP-2ALOGPS
logP-3.4ChemAxon
logS-0.99ALOGPS
pKa (Strongest Acidic)3.39ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area141.28 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity49.11 m³·mol⁻¹ChemAxon
Polarizability16.62 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB11126
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkCalcium gluconate
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID9290
Kegg Compound IDC08133
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available