ContaminantDB: CALCIUM GLUCONATE

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:56:36 UTC

Update Date

2026-04-05 17:20:17 UTC

Accession Number

CHEM004948

Identification

Common Name

CALCIUM GLUCONATE

Class

Small Molecule

Description

Calcium 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 Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Calcium gluconic acid	Generator
Calglucon	ChEMBL, MeSH
Calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid	Generator
3m Brand OF calcium gluconate monohydrate	MeSH
Braun brand OF calcium gluconate	MeSH
CBG	MeSH
Calciofon	MeSH
Calcipot	MeSH
Calcium braun	MeSH
Calcium gluconate	MeSH
Calcivitol	MeSH
Chaix et du marais brand OF calcium gluconate	MeSH
Coophavet brand OF calcium gluconate	MeSH
Ebucin	MeSH
Flopak plain	MeSH
Fresenius kabi brand OF calcium gluconate	MeSH
Glucal	MeSH
Glucobiogen	MeSH
Gluconate de calcium lavoisier	MeSH
Gluconate, calcium	MeSH
gluconato Calc fresenius	MeSH
Merial brand OF calcium gluconate	MeSH
Pharmtech brand OF calcium gluconate	MeSH

Chemical Formula

C₁₂H₂₂CaO₁₄

Average Molecular Mass

430.372 g/mol

Monoisotopic Mass

430.064 g/mol

CAS Registry Number

299-28-5

IUPAC Name

calcium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)

Traditional Name

calcium 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 Identifier

InChI=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 Key

NEEHYRZPVYRGPP-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.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Sugar 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 Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	44.2 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3.4	ChemAxon
logS	-0.99	ALOGPS
pKa (Strongest Acidic)	3.39	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	141.28 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	49.11 m³·mol⁻¹	ChemAxon
Polarizability	16.62 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

Spectra

Not Available

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DB11126

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Calcium gluconate

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

9290

Kegg Compound ID

C08133

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

CALCIUM GLUCONATE (CHEM004948)

Structure for CHEM004948: CALCIUM GLUCONATE