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エチドロン酸二ナトリウム

Etidronate Disodium

HCID 23894
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
7414-83-7
標準SMILES
CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+]
InChIKey
GWBBVOVXJZATQQ-UHFFFAOYSA-L
分子式
C2H6Na2O7P2
平均分子量
249.99 g/mol
単同位体質量
249.93841509

概要

Etidronate disodium is an organic sodium salt resulting from the replacement of two protons from etidronic acid (one from from each of the phosphonic acid groups) by sodium ions. It has a role as an antineoplastic agent, a chelator and a bone density conservation agent. It contains an etidronic acid(2-).

名称と識別子

優先名称
Etidronate Disodium
IUPAC
disodium;hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate
現地名
エチドロン酸二ナトリウム
英語名
Etidronate disodium
分子式
C2H9NaO7P2
分子量
230.02

名称と別名

Etidronate disodium7414-83-7Disodium etidronateSodium etidronateDisodium ethydronateSodium ethidronateSodium ethydronateEtidronic Acid Disodium SaltTurpinal 2NZDisodium ethanol-1,1-diphosphonateDTXSID1029671Disodium 1-hydroxyethylidene phosphonate
名称をさらに表示
二ナトリウム=二水素=(1ヒドロキシエチリデン)ビス[ホスホナト]エチドロン酸二ナトリウム水和物1-ヒドロキシエタン-1,1-ジホスホン酸ナトリウム水和物二ナトリウム=(1-ヒドロキシエチリデン)ジホスホナートエチドロン酸二ナトリウム塩エチドロネート二ナトリウム塩エチドロネート二ナトリウムエチドロネート 二ナトリウムエチドロネート 二ナトリウム 水和物エチドロン酸二ナトリウムエチドロン酸二ナトリウム (JP17)ETIDRONATEDisodiuM Etidronate HydrateEtidronsm-5600CalcimuxDidroneldidronelrBA 49280Esodiumethidronate
Disodium (1-hydroxyethylidene)diphosphonateDisodium dihydrogen (1-hydroxyethylidene)diphosphonateDisodium ethane-1-hydroxy-1,1-diphosphonate(1-Hydroxyethane-1,1-diyl)diphosphonic acid disodium saltM16PXG993G(1-Hydroxyethylidene)diphosphonic acid, disodium salt1-Hydroxyethylidene-1,1-diphosphonic acid disodium saltPhosphonic acid, (1-hydroxyethylidene)bis-, disodium salt

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
3
水素結合受容体数
7
回転可能結合数
2
重原子数
13
形式電荷
0
複雑度
206

実験および物理化学的性質

CosmeticsCosmetic ingredients (Disodium Etidronate) -> CIR (Cosmetic Ingredient Review)
Human Drugs · 2 件

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

物理化学的性質

融点
300 °C · >300 °C
貯蔵温度
15 · 15-25°C
溶解性
2 O: · H2O: 26 mg/mL
外見
個体
色
白い
水溶解度
水に溶けます (26 mg/ml)。
Merck
14 · 14,3863
安定性
Hygroscopic
化粧品成分の機能
キレート化
InChI
InChI=1S/C2H8O7P2.Na.H/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;
InChIKey
MFKOTRZLMIUIGE-UHFFFAOYSA-N
SMILES
C(O)(C)(P(O)(O)=O)P(O)(O)=O.[NaH]
CAS データベース
7414 · 7414-83-7
EPAの化学物質情報
Phosphonic acid, (1-hydroxyethylidene)bis-, disodium salt (7414-83-7)

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 · 6 件

This chemical does not meet GHS hazard criteria for 44.3% (143 of 323) of reports.

Warning

H302 (35.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 323 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 2 件

Chemical: Phosphonic acid, (1-hydroxyethylidene)bis-, disodium salt

Etidronate disodium: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Etidronic acids: Human health tier II assessment
Hazard Classes and Categories · 2 件

Acute Tox. 4 (35.9%)

Acute toxicity - category 4

毒性情報

Exposure RoutesThe amount of drug absorbed after an oral dose is approximately 3%.
Toxicity Summary · 2 件

Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Bisphosphonates, when attached to bone tissue, are absorbed by osteoclasts, the bone cells that breaks down bone tissue. Although the mechanism of action of non-nitrogenous bisphosphonates has not been fully elucidated, available data suggest that they bind strongly to hydroxyapatite crystals in the bone matrix, preferentially at the sites of increased bone turnover and inhibit the formation and dissolution of the crystals. Other actions may include direct inhibition of mature osteoclast function, promotion of osteoclast apoptosis, and interference with osteoblast-mediated osteoclast activation. Etidronic acid does not interfere with bone mineralization. In malignancy-related hypercalcemia, etidronic acid decreases serum calcium by inhibiting tumour-induced bone resorption and reducing calcium flow from the resorbing bone into the blood. Etidronic acid also reduces morbidity of osteolytic bone metastases by inhibiting tumour-induced bone resorption. Etidronic acid may promote osteoclast apoptosis by competing with adenosine triphosphate (ATP) in the cellular energy metabolism. The osteoclast initiates apoptosis and dies, leading to an overall decrease in the breakdown of bone.

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Not metabolized. Route of Elimination: Etidronate disodium is not metabolized. Within 24 hours, approximately half the absorbed dose is excreted in urine; the remainder is distributed to bone compartments from which it is slowly eliminated. Unabsorbed drug is excreted intact in the feces. Half Life: In normal subjects, plasma half-life of etidronic acid, based on non-compartmental pharmacokinetics is 1 to 6 hours.

MeSH Pharmacological ClassificationAgents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS.

用途と製造

Uses · 2 件

CIR ingredient: Disodium Etidronate

For the treatment of symptomatic Paget's disease of bone and in the prevention and treatment of heterotopic ossification following total hip replacement or due to spinal cord injury.

Household ProductsInformation on 1 consumer products that contain Disodium Etidronate in the following categories is provided:
General Manufacturing InformationPhosphonic acid, P,P'-(1-hydroxyethylidene)bis-, sodium salt (1:2): ACTIVE
応用分野 · 3 件

用途酸誘導体の合成化合物骨吸収を抑制する

説明Agents in the first generation (e.g., etidronate disodium and tiludronate) that were dosed continuously produced poorly mineralized bone, because there was no interval for appropriate bone mineralization to occur. Subsequent studies that used a cyclic dosing schedule (400 mg/day for 2 weeks, followed by 2.5 months of calcium supplementation only) showed improvement in bone mineralization. Etidronate has been approved for treatment of Paget's disease of the bone but not for treatment of osteoporosis. Tiludronate is approximately 10-fold more potent than etidronate and, when given orally for 6 months (200, 400, or 800 mg/day), increases BMD by 2%. No further bone loss was detected in patients 6 months after cessation of therapy.

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
7414-83-7
PubChem CID
23894
DTXSID
DTXSID1029671
ChEMBL
CHEMBL1201042
ChEBI
CHEBI:4906
UNII
M16PXG993G
EC Number
231-025-7

化学的性質

化学的特性White Crystalline Solid

Signs and Symptoms · 1 件

Clinical experience with acute etidronic acid overdosage is extremely limited. Decreases in serum calcium following substantial overdosage may be expected in some patients. Signs and symptoms of hypocalcemia also may occur in some of these patients. Some patients may develop vomiting. In one event, an 18-year-old female who ingested an estimated single dose of 4800 to 6000 mg (67 to 100 mg/kg) of etidronate was reported to be mildly hypocalcemic (7 .5 2 mg/ dl) and experienced paresthesia of the fingers.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Etidronate disodium

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

EPA Human Health Benchmarks for Pharmaceuticals · 6 件

Etidronate disodium

9.3

39.4

Dosage is 5 to 10 mg/kg-day for a period not to exceed 3 months. (LDD calculated assuming 80 kg adult.)

Data used to generate the benchmarks include the following: Lowest Daily Dose (LDD): 400 mg/day, Lowest Therapeutic Dose (LTD): 5.0 mg/kg-day, and Screening Dose: 0.002 mg/kg-day.

17-Mar-17

安全データ

wgk
1
tsca
TSCA listed
rtecs
SZ8562240
hs_code
29319090
risk_code
22
化審法
(2)-2936 優先評価化学物質
hazard_code
Xn
safety_code
36/37/39
Hazard Classifications
Acute Tox. 4 Oral
ストレージクラス
11 - Combustible Solids

使用Etidronate disodium is a bisphosphonate antiresorptive agent,it is used as a calcium regulator.

上流・下流製品情報

下流製品

water quality stabilizre DDF-1

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補足説明

定義ChEBI: An organic sodium salt resulting from the replacement of two protons from etidronic acid (one from from each of the phosphonic acid groups) by sodium ions.