基本情報
- CAS
17140-60-2- 標準SMILES
O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2]- InChIKey
FATUQANACHZLRT-KMRXSBRUSA-L- 分子式
- C14H26CaO16
- 平均分子量
- 490.42 g/mol
- 単同位体質量
- 490.0846756
概要
Calcium glucoheptonate is the calcium salt of (2)-D-gluco-heptonic acid. It is used as a calcium supplement for treatment of hypocalcaemia. It contains a (2xi)-D-gluco-heptonate.
名称と識別子
- 優先名称
- Calcium glucoheptonate
- IUPAC
- calcium bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
- 現地名
- ビス[D-glycero-D-gulo-ヘプトン酸]カルシウム
- 英語名
- CALCIUM GLUCOHEPTONATE
- 分子式
- C7H16CaO8
- 分子量
- 268.28
名称と別名
CALCIUM GLUCEPTATE29039-00-7Calcium glucoheptonateCalcium glucoheptonate (1:2)Glucoheptonate de calciumCalcii glucoheptonasGlucoheptonato calcicoCalcium glucoheptonecalcium (2xi)-D-gluco-heptonateCalcium gluceptate (USP)Calcium gluceptate [USP]calcium bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
名称をさらに表示
グルセプト酸カルシウムビス[D-glycero-D-gulo-ヘプトン酸]カルシウムビス(D-glycero-D-gulo-ヘプトン酸)カルシウムグルコヘプトナートカルシウムグルコヘプトン酸CANsc42196Calcium glueptatecalciumheptagluconatecalciumglucoheptanoateCalcium glucoheptonoateCALCIUM GLUCEPTATE, USPCalcium glucoheptonate CRScalciumalpha-glucoheptonate
CHEBI:3314DTXSID30951637Glucoheptonic acid, calcium salt (2:1)NSC-755885L11651398Jcalcium bis[(2xi)-D-glycero-D-gulo-heptonate]calcium bis[(2xi)-D-glycero-D-ido-heptonate]calcium bis[(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate]
物性
構造計算による物性
- 極性表面積
- 323 Ų
- 水素結合供与体数
- 12
- 水素結合受容体数
- 16
- 回転可能結合数
- 10
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 202
実験および物理化学的性質
CosmeticsSkin conditioning
SolubilitySoluble
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
物理化学的性質
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 89.2 mg/mL · ≥ 89.2mg/mL in Water, ≥ 4.90mg/mL in DMSO with gentle warming
- 外見
- Solid
- 色
- White to off-white
- BRN
- 6104529 · 6104529
- InChI
- 1S/2C7H14O8.Ca.2H2O/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;/h2*2-6,8-13H,1H2,(H,14,15);;2*1H2/q;;+2;;/p-2/t2*2-,3-,4+,5-,6-;;;/m11.../s1
- InChIKey
- JBMIEBJMNFOKBC-JRLDONDGSA-L
- SMILES
- O.O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O[Ca]OC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
- EPAの化学物質情報
- D-glycero-D-gulo-Heptonic acid, calcium salt (2:1) (17140-60-2)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (20 of 20) of all reports.
Not Classified
Aggregated GHS information provided per 20 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesNot Classified
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MA7980000
- safety_code
- 22-24/25
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Pharmacodynamics
Calcium supplements such as calcium gluceptate are taken by individuals who are unable to get enough calcium in their regular diet or who have a need for more calcium. They are used to prevent or treat several conditions that may cause hypocalcemia (not enough calcium in the blood). The body needs calcium to make strong bones. Calcium is also needed for the heart, muscles, and nervous system to work properly. The bones serve as a storage site for the body's calcium. They are continuously giving up calcium to the bloodstream and then replacing it as the body's need for calcium changes from day to day. When there is not enough calcium in the blood to be used by the heart and other organs, your body will take the needed calcium from the bones. When you eat foods rich in calcium, the calcium will be restored to the bones and the balance between your blood and bones will be maintained.
Mechanism of ActionCalcium gluceptate replenishes the deminished levels of calcium in the body, returning them to normal levels.
Absorption, Distribution and ExcretionRapidly absorbed following oral administration.
用途と製造
Use ClassificationCosmetics -> Skin conditioning
応用分野
使用Replenisher (calcium).
調製方法
純化方法Purify it in the same way as for calcium D-gluconate. [Beilstein 3 III 1112.]
サプライヤー32 社
関連反応
1 件
化合物ノート
読み込み中…