基本情報
- CAS
138844-81-2- 標準SMILES
CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]- InChIKey
LXLBEOAZMZAZND-UHFFFAOYSA-M- 分子式
- C9H22NNaO7P2
- 平均分子量
- 341.21 g/mol
- 単同位体質量
- 341.07691958
概要
See also: Ibandronate Sodium (annotation moved to); Ibandronate (annotation moved to).
名称と識別子
- 優先名称
- Ibandronate Sodium Anhydrous
- IUPAC
- sodium hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate
- 現地名
- イバンドロン酸ナトリウム
- 英語名
- Ibandronate sodium
- 分子式
- C9H24NNaO7P2
- 分子量
- 343.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
138844-81-2- PubChem CID
- 23670359
- DTXSID
DTXSID8046618- ChEMBL
CHEMBL1201008- UNII
- 23Y0B94E49
物性
構造計算による物性
- 極性表面積
- 141 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 8
- 回転可能結合数
- 9
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 377
物理化学的性質
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 2 O: · H2O: >10mg/mL
- 外見
- 個体
- 色
- 白い
- 水溶解度
- 2 O: · H2O: >10mg/mL
- Merck
- 14 · 14,4873
- 安定性
- Hygroscopic
- InChI
- InChI=1S/C9H23NO7P2.Na.H/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;
- InChIKey
- LXLBEOAZMZAZND-UHFFFAOYSA-M
- SMILES
- C(O)(P(O)(O)=O)(P(O)(O)=O)CCN(C)CCCCC.[NaH]
安全と法規制
安全データ
- wgk
- 3
- rtecs
- SZ8563300
- hs_code
- 29319090
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
応用分野
説明ibandronate sodium (BONIVA) is a nitrogen-containing bisphosphonate that inhibits osteoclast-mediated bone resorption. The chemical name for ibandronate sodium is 3-(N-methyl-N-pentyl) amino-1-hydroxypropane-1,1-diphosphonic acid, monosodium salt, monohydrate with the molecular formula C9H22NO7P2NaH20 and a molecular weight of 359.24. Ibandronate sodium is a white-to off-white powder. It is freely soluble in water and practically insoluble in organic solvents.BONIVA is available as a white, oblong, 2.5-mg film-coated tablet for daily oral administration or as a white, oblong, 150-mg film-coated tablet for once-monthly oral administration. One 2.5-mg film-coated tablet contains 2.813 mg ibandronate monosodium monohydrate, equivalent to 2.5 mg free acid. One 150-mg film-coated tablet contains 168.75 mg ibandronate monosodium monohydrate, equivalent to 150 mg free acid. BONIVA also contains the following inactive ingredients: lactose monohydrate, povidone, microcrystalline cellulose, crospovidone, purified stearic acid, colloidal silicon dioxide, and purified water. The tablet film coating contains hypromellose, titanium dioxide, talc, polyethylene glycol 6000, and purified water.
使用Ibandronate sodium salt has been used to study its effect on the proliferation and ultrastructure of Leishmania and Giardia by the generation of concentration curves. It has also been used to elucidate the route by which nitrogen-containing bisphosphonates (N-BPs) enter the cytosol and inhibit their molecular target.
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