1-(ソジオオキシホスホニル)-1-ヒドロキシ-4-アミノブチルホスホン酸

Alendronate sodium anhydrous

HCID 16760285

基本情報

CAS: 129318-43-0
標準SMILES: NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]
InChIKey: CAKRAHQRJGUPIG-UHFFFAOYSA-M
分子式: C4H12NNaO7P2
平均分子量: 271.08 g/mol
単同位体質量: 270.99866926

概要

See also: Sotalol Hydrochloride (annotation moved to); Alendronate Sodium (annotation moved to); Alendronic Acid (annotation moved to).

名称と識別子

優先名称: Alendronate sodium anhydrous
IUPAC: sodium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate
現地名: 1-(ソジオオキシホスホニル)-1-ヒドロキシ-4-アミノブチルホスホン酸
英語名: Alendronate sodium
分子式: C4H13NNaO7P2
分子量: 272.09

名称と別名

129318-43-0Monosodium alendronateAlendronate sodium anhydrous4988K7X26PDTXSID70904501RefChem:1076325DTXCID501333649FosamaxFosamacalendronate monosodiumAlendronic acid sodium saltMFCD01861681

名称をさらに表示

ボナロン1-(ソジオオキシホスホニル)-1-ヒドロキシ-4-アミノブチルホスホン酸フォサマックテイロック{4-アミノ-1-ヒドロキシ-1-[ヒドロキシ(ソジオオキシ)ホスホリル]ブチル}ホスホン酸アレンドロ酸ナトリウム4-ヒドロキシ-4-(ソジオオキシホスホニル)-4-ホスホノブタン-1-アミンオンクラスト(4-アミノ-1-ヒドロキシブチリデン)ビスホスホン酸O-ナトリウムALENDRONATESODIUM ALENDRONATE(4-Amino-1-hydroxybutane-1,1-diyl)diphosphonic acid, sodium saltMK-217Alendronate sodiumAlendronic acid, sodiuM saltAlendronate sodium USP/EP/BPtetrasodium 4-amino-1,1-diphosphonatobutan-1-ol

sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinateAlendronic Acid Monosodium SaltSODIUM HYDROGEN (4-AMINO-1-HYDROXY-1-PHOSPHONOBUTYL)PHOSPHONATEOnclast; Osteovan; Sodium alendronateOsteovanIndrolAlendNeoBon

データベース識別子

CAS: 129318-43-0
PubChem CID: 16760285
DTXSID: DTXSID70904501
UNII: 4988K7X26P
EC Number: 603-329-3

物性

構造計算による物性

極性表面積: 164 Å²
水素結合供与体数: 5
水素結合受容体数: 8
回転可能結合数: 5
重原子数: 15
形式電荷: 0
複雑度: 293

実験および物理化学的性質

Physical DescriptionDry Powder

Collision Cross Section155.4 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点: 119 °C · 119 °C
貯蔵温度: -20 °C · Desiccate at -20°C
溶解性: 15 mg/mL · ≥ 15mg/mL in Water with gentle warming
BCS Class: 3 · 3
CAS データベース: 129318 · 129318-43-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Phosphonic acid, P,P'-(4-amino-1-hydroxybutylidene)bis-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P'-(4-amino-1-hydroxybutylidene)bis-, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

tsca: TSCA listed
毒性: dog,LD,oral,> 200mg/kg (200mg/kg),International Journal of Clinical Practice, Supplement. Vol. 101, Pg. 3, 1999.
hazard_class: IRRITANT

化学と産業

用途と製造

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

Printing Ink Manufacturing

Phosphonic acid, P,P'-(4-amino-1-hydroxybutylidene)bis-, sodium salt (1:1): ACTIVE

応用分野 · 1 件

説明Alendronate sodium is the fourth bisphosphonate to reach the market for the treatment of postmenopausal osteoporosis. Bisphosphonates are potent inhibitors of bone resorption. They reduce pain and complications due to bone metastases, are effective in Paget's disease and in increasing bone mineral density. These agents bind tightly to hydroxyapatite crystals and are retained on bone resorption surfaces. Local release of the bisphosphonates occurs by acidification during the process of the bone resorption to impair the osteoclasts' ability to resorb bone. Alendronate is more potent than other bisphosphonates such as clodronate, pamidronate, and etidronate and is reported to have no deleterious effects on bone. It has also been shown to reduce hypercalcemia in cancer patients.