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299-28-5

Basic Information
CAS No.: 299-28-5
Name: Calcium gluconate
Article Data: 21
Cas Database
Molecular Structure:
Molecular Structure of 299-28-5 (Calcium gluconate)
Formula: 2(C6H11O7).Ca
Molecular Weight: 430.376
Synonyms: Calglucon;Calcium Gluconate USP Anhydrous Granular;Calcicol;calcium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;Calcicol (TN);D-Gluconic acid,calcium salt (2:1);Calcium Gluconate USP (injectable grade) (Anhydrous;Calcium Gluconate BP2005 Anhydrous Granular;Calcium gluconate (Injectable);
EINECS: 206-075-8
Density: N/A
Melting Point: 195 °C
Boiling Point: 673.6 °C at 760 mmHg
Flash Point: 375.2 °C
Solubility: water: 3.3 g/100mL
Appearance: white crystalline powder or granule
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 24/25-36-26
Transport Information: N/A
PSA: 254.90000
LogP: -7.14040
Downstream Products
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Reported in EPA TSCA Inventory.

Specification

 The Calcium gluconate, with its cas no 299-28-5, has its IUPAC name of calcium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate. This is a kind of white crystalline powder or granules with no odour and no taste, and it is insoluble in aboslute ethyl alcohol, chloroform and ethyl ether, and its product categories are various, including biochemistry; ca (calcium) compounds; classes of metal compounds; glucose; sugar acids; sugars; typical metal compounds; food & flavor additives. This chemical is stable and incompatible with strong oxidizing agents.The calcium salt of gluconic acid. The compound has a variety of uses, including its use as a calcium replenisher in hypocalcemic states

The characteristics of Calcium gluconate are as below:
 (1)H-Bond Donor: 10; (2)H-Bond Acceptor: 14; (3)Rotatable Bond Count: 8; (4)Exact Mass: 430.063547; (5)MonoIsotopic Mass: 430.063547; (6)Topological Polar Surface Area: 283; (7)Heavy Atom Count: 27; (8)Formal Charge: 0; (9)Complexity: 165; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 8; (12)Covalently-Bonded Unit: Count 3.

The production method of Calcium gluconate is below:
This making method is called fermentation method. Firsty, make the starch double-enzyme hydrolytic Glucose Liquid as the main medium, calcium carbonate as the neutralizer, and then inoculate the aspergillus niger to ferment; Secondly, make use of the glucose oxidase in aspergillus niger to convert the glucose to calcium gluconate; Thirdly, fermentation broth is filtered adn remove the thallus and residue, and then have the decoloration by activated carbon; Then destainer is neutralized with calcium carbonate, and have the evaporation concentration of the neutralized solution at l00℃; Finally, cool to get the crystal, and then recrystal to get Calcium gluconate.

Uses of Calcium gluconate:
As to its usage, it is widely applied in many ways. It could be used as the calcium reinforcer, buffer, curing agent and chelant. This chemical has the function of reducing the capillary permeabilty, increase density, maintain nerve and sarcous normal erethism, strengthen cardiac muscle contraction and help sclerotin formation. When store it, keep it in a cool, dry and well-ventilated room.

Safety information of Calcium gluconate:
You should be cautious while dealing with Calcium gluconate: Being a kind of harmful chemical, it may cause damage to health, and if by inhalation, in contact with skin or if swallowed, it will have very serious damage. Besides, it is irritating to eyes, respiratory system and skin. So you should take the following instructions while using. Wear suitable protective clothing, and avoid contacting with skin and eyes. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. And you could also get more safety information from WGK Germany  1.  

The following datas could be converted into the molecular structure:
(1)Canonical SMILES: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Ca+2]
(2)Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@
H](C(=O)[O-])O)O)O)O)O.[Ca+2]
(3)InChI: 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 
(4)InChIKey: NEEHYRZPVYRGPP-IYEMJOQQSA-L 

Below are the toxicity information of Calcium gluconate:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 1987mg/kg (1987mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 47, Pg. 183, 1933.
guinea pig LDLo intravenous 1810mg/kg (1810mg/kg) CARDIAC: OTHER CHANGES

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 191, Pg. 44, 1971.
 
infant LDLo intramuscular 10gm/kg (10000mg/kg) BRAIN AND COVERINGS: MENINGEAL CHANGES

LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"
JAMA, Journal of the American Medical Association. Vol. 129, Pg. 347, 1945.
infant TDLo intramuscular 143mg/kg (143mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" JAMA, Journal of the American Medical Association. Vol. 129, Pg. 347, 1945.
mouse LD50 intraperitoneal 2200mg/kg (2200mg/kg)   Journal of Drug Research. Vol. 15(1-2), Pg. 121, 1984.
mouse LD50 intravenous 950mg/kg (950mg/kg)   Toxicology and Applied Pharmacology. Vol. 4, Pg. 492, 1962.
 
mouse LD50 subcutaneous 2890mg/kg (2890mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 47, 1956.
mouse LDLo oral 10gm/kg (10000mg/kg)   Farmaco, Edizione Pratica. Vol. 26, Pg. 144, 1971.
 
rat LD50 intravenous 950mg/kg (950mg/kg)   Drugs in Japan Vol. 6, Pg. 226, 1982.
rat LDLo oral 10gm/kg (10000mg/kg)   Farmaco, Edizione Pratica. Vol. 26, Pg. 144, 1971.