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Calcium Gluconate
CALCII GLUCONAS · Calcium giuconate · Calciumglukonat-1-hydrat · CALCIUMGLUCONATE-1-HYDRATE · GLUCONIC ACID CALCIUM SALT · ALCIUM GLUCONATE MONOHYDRATE · CALCIUM D-GLUCONATE MONOHYDRATE · Monohydrate of calcium gluconate

識別子と物理属性
| CAS No. | 18016-24-5 |
|---|---|
| 分子式 | C12H22CaO14 |
| 平均分子量 | 430.37 g/mol |
| 単同位体質量 | 430.0635462 g/mol |
| SMILES | O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2] |
| InChIKey | NEEHYRZPVYRGPP-IYEMJOQQSA-L |
| PubChem CID | 9290 |
| ChEMBL | CHEMBL2106119 |
| ChEBI | CHEBI:3309 |
| EC No. | 206-075-8 |
| DTXSID | DTXSID2029618 |
化学・物理的性質
| 極性表面積 | 283 |
|---|---|
| 水素結合供与体数 | 10 |
| 水素結合受容体数 | 14 |
| 回転可能結合数 | 8 |
| 重原子数 | 27 |
| 形式電荷 | 0 |
| 複雑度 | 165 |
| pH | Between 6,0 and 8,0 (5 % solution)pH aq soln: 6-7 |
| LogP(分配係数) | -7.51 (estimated) |
| 臭い | Odorless |
| 味 | Tasteless |
| 密度 | 0.30-0.65 g/cm³ |
| Color/Form | Crystals, granules, or powder |
| 溶解度 | Soluble in water, insoluble in ethanolSlowly soluble in 5 parts boiling waterinsoluble in alc or other organic solvents. Slowly soluble in 30 parts cold, about 5 parts boiling waterInsoluble in acetic acidSol in water 3.3 g/100 cc at 15 °CIn water, 3.33X10+4 mg/L at 25 °CSolubility in water, g/100ml at 25 °C: 3.5 (moderate)水に溶けにくく、熱湯に溶けやすい。 |
| 融点 | 120 °C178 °C |
| Optical Rotation | Specific optical rotation: approximately +6 deg at 20 °C/D |
| Physical Description | Odourless, white crystalline granules or powder, stable in airOdorless solidSoluble in water[HSDB] White powder[Sigma-Aldrich MSDS]WHITE SOLID IN VARIOUS FORMS. |
| Stability/Shelf Life | Stable in air. |
| Other Experimental Properties | Soln is neutral to litmus paperDoes not lose its water on drying without some decompStable in air. Loses water at 120 °C.Calcium gluconate is decomposed by dilute mineral acids into gluconic acid and the calcium salt of the mineral acid used. It is precipitated from its aqueous solution by the addition of alcohol. |
| 外観・状態 | Solid |
| 色 | White to off-white |
| InChI | InChI=1/2C6H12O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13/h2*2-5,7-11H,1H2,(H,12,13)1H2/q+2/p-2/t2*2-,3-,4+,5-/s3 |
| InChIKey | XLNFVCRGJZBQGX-JMZCPQFCNA-L |
| SMILES | [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)C(=O)O[Ca]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O |&1:0,2,4,8,17,19,21,23,r| |
| CAS データベース | 18016-24-5(CAS DataBase Reference) |
化学的特性
White or almost white, crystalline or granular powder.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 98.6% (68 of 69) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 68 of 69 companies (only 1.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 69 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 68 of 69 reports by companies.There is 1 notification provided by 1 of 69 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.There are 0 notifications provided by 0 of 2 reports by companies with hazard statement code(s). |
|---|---|
| 規制情報 | Chemical: D-Gluconic acid, calcium salt (2:1)Status: Active Update: 05-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25784Calcium gluconate: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - D-Gluconic acid, calcium salt (2:1): Human health tier I assessment |
| 火災危険 | Combustible. |
| 有害性の概要 | Classified as generally recognized as safe (GRAS) for use in food[HSDB] No significant adverse effects in chronic studies of animalsReproductive studies negativeNo data available on carcinogenicity or inhalation toxicity[OECD SIDS: Gluconic acid and its derivatives - 2004] May cause irritation[Sigma-Aldrich MSDS] See Calcium. |
用途
使用
Calcium gluconate monohydrate is used in treatment of calcium deficiency.
製法・合成法
純化方法
Dissolve it in H2O, filter and precipitate it by adding MeOH. Filter off the solid and dry it in a vacuum at 85o. Alternatively, dissolve it in H2O, filter (from insoluble inorganic Ca) and evaporate it to dryness under vacuum at 85o. [March et al. J Am Pharm Assoc 41 366 1952, Beilstein 3 IV 1255.]