基本情報
- CAS
2531-75-1- 標準SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Ca+2]- InChIKey
BHRQIJRLOVHRKH-UHFFFAOYSA-L- 分子式
- C14H21CaN3O10
- 平均分子量
- 431.41 g/mol
- 単同位体質量
- 431.0852847
概要
Pentetate Calcium is the calcium salt form of diethylene triamine pentaacetate (Ca-DTPA or pentetate calcium), with chelating activity. Upon administration, Ca-DTPA loses the Ca ion to form stable chelates with metal ions because DTPA has a higher affinity for heavy metal ions than for Ca ions. Specifically, this agent is able to bind to and form strong complexes with radioactive plutonium, americium, and cerium after internal contamination. The formation of these heavy metal chelates enhances radionuclide excretion. enhances radionuclide excretion.
名称と識別子
- 優先名称
- Pentetate Calcium
- IUPAC
- calcium 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate
名称と別名
Calcium DTPADiethylenetriaminepentaacetic acid, calcium saltCalcium diethylene triamine pentaacetateCalcium diethylenetriaminepentaacetic acidW0655Y0HSJDTXSID50179957Pentetate calciumCalcium N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinate (1:1)Pentetic Acid CalciumRefChem:1094561DTXCID10102448219-790-5
名称をさらに表示
Calcium DIPAcalcium;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetateEINECS 219-790-5UNII-W0655Y0HSJGLYCINE, N,N-BIS(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-, CALCIUM SALTSCHEMBL1477258calcium [{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino]acetate
データベース識別子
- CAS
2531-75-1- PubChem CID
- 17320
- DTXSID
DTXSID50179957
物性
構造計算による物性
- 極性表面積
- 202 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 13
- 回転可能結合数
- 14
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 526
関連反応
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