您当前所在的位置:首页 > 产品中心 > 产品详细信息
29039-00-7 分子结构
点击图片或这里关闭

calcium bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)

ChemBase编号:211
分子式:C14H26CaO16
平均质量:490.42464
单一同位素质量:490.08467573
SMILES和InChIs

SMILES:
[Ca+2].O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)C(O)C(=O)[O-].O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)C(O)C(=O)[O-]
Canonical SMILES:
OC[C@H]([C@H]([C@@H]([C@H](C(C(=O)[O-])O)O)O)O)O.OC[C@H]([C@H]([C@@H]([C@H](C(C(=O)[O-])O)O)O)O)O.[Ca+2]
InChI:
InChI=1S/2C7H14O8.Ca/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);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1
InChIKey:
FATUQANACHZLRT-KMRXSBRUSA-L

引用这个纪录

CBID:211 http://www.chembase.cn/molecule-211.html

Collapse All Expand All

名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
calcium bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
IUPAC传统名
calcium(2+) bis((2xi)-D-gluco-heptonate)
商标名
Calcium Stanley
别名
Calcium glucoheptonate
Trimethylene chlorobromide
Calcium Gluceptate
CAS号
29039-00-7
PubChem SID
46507233
160963674
PubChem CID
62859

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
DrugBank DB00326 external link
PubChem 62859 external link
数据来源 数据ID 价格

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 3.384685  质子受体
质子供体 LogD (pH = 5.5) -6.1422906 
LogD (pH = 7.4) -7.446819  Log P -4.040079 
摩尔折射率 55.0706 cm3 极化性 18.217089 Å3
极化表面积 161.51 Å2 可自由旋转的化学键 12 
里宾斯基五规则 false 
Log P -1.91  LOG S -1.09 
溶解度 3.98e+01 g/l 

分子性质

分子性质

理化性质 生物活性(PubChem)
溶解度
Soluble expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB00326 external link
Item Information
Drug Groups approved
Description 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.
Indication For treatment of mild hypocalcemia due to neonatal tetany, tetany due to parathyroid deficiency or vitamin D deficiency, and alkalosis, as prophylaxis of hypocalcemia during exchange transfusions, in the treatment of intestinal malabsorption, and to replenish electrolytes.
Pharmacology 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.
Toxicity Symptoms of overdose include confusion, drowsiness (severe), high blood pressure, increased sensitivity of eyes or skin to light, irregular, fast, or slow heartbeat, and unusually large amount of urine or increased frequency of urination.
Affected Organisms
Humans and other mammals
Absorption Rapidly absorbed following oral administration.
References
Drop LJ, Cullen DJ: Comparative effects of calcium chloride and calcium gluceptate. Br J Anaesth. 1980 May;52(5):501-5. [Pubmed]

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Drop LJ, Cullen DJ: Comparative effects of calcium chloride and calcium gluceptate. Br J Anaesth. 1980 May;52(5):501-5. Pubmed
正在搜索,请耐心等待...(如果遇到网页错误或者长时间没有结果,请刷新页面[F5])

专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

互联网资源

百度图标百度 google iconGoogle