基本情報
- CAS
53746-45-5- 標準SMILES
CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.O.O.[Ca+2]- InChIKey
LZPBLUATTGKZBH-UHFFFAOYSA-L- 分子式
- C30H30CaO8
- 平均分子量
- 558.6 g/mol
- 単同位体質量
- 558.1566588
概要
Fenoprofen calcium is the dihydrate form of the calcium salt of fenoprofen. A non-steroidal anti-inflammatory drug, it is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, a cyclooxygenase 2 inhibitor and a cyclooxygenase 1 inhibitor. It contains a fenoprofen calcium (anhydrous).
名称と識別子
- 優先名称
- Fenoprofen Calcium
- IUPAC
- calcium;bis(2-(3-phenoxyphenyl)propanoate);dihydrate
- 現地名
- フェノプロフェン カルシウム二水和物
- 英語名
- Fenoprofen calcium salt hydrate
- 分子式
- C30H30CaO8
- 分子量
- 558.63
名称と別名
Fenoprofen calcium dihydrateFenoprofen calcium53746-45-5NalgesicFenopronFepronaFepronCalcium 2-(m-phenoxyphenyl)propionate dihydrate0X2CW1QABJFENOPRON TM(+-)-alpha-Methyl-3-phenoxybenzeneacetic acid calcium salt dihydrateCHEBI:5005
名称をさらに表示
フェノプロフェン カルシウム二水和物フェノプロフェンカルシウム塩水和物フェノプロフェン カルシウム塩 水和物フェノプロフェンカルシウム (JAN)rac-ビス[(R*)-α-メチル-3-フェノキシベンゼン酢酸]カルシウム・2水和物フェノプロフェンカルシウムprogesicym-09229lilly69323FENOPROFEN CAnalfonhydrateSOME:0X2CW1QABJ
DTXSID80904653RefChem:56501DTXCID501333770260-133-771720-56-4Fenoprofen calcium hydrateFenoprofen calcium salt dihydratecalcium 2-(3-phenoxyphenyl)propanoate dihydrate
データベース識別子
- CAS
53746-45-5、71720-56-4
物性
構造計算による物性
- 極性表面積
- 101 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 6
- 重原子数
- 39
- 形式電荷
- 0
- 複雑度
- 265
実験および物理化学的性質
Human Drugs
Breast Feeding; Lactation; Milk, Human; Analgesic Agents; Anti-inflammatory Agents, Nonsteroidal
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
物理化学的性質
- 融点
- 94 oC · >94oC (dec.)
- 貯蔵温度
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 溶解性
- クロロホルム (マイルド、加熱、超音波処理)、DMSO (マイルド)、メタノール (非常にマイルド)
- 酸解離定数(Pka)
- 4.5 · 4.5(at 25℃)
- 色
- ホワイトからオフホワイト
- 安定性
- 吸湿性
- 主な用途
- 法医学と毒物学医薬品（低分子化合物）獣医
- InChI
- 1S/C15H14O3.Ca.H2O.2H/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;;;;/h2-11H,1H3,(H,16,17);;1H2;;
- InChIKey
- JWCQUXFJNIIYQZ-UHFFFAOYSA-N
- SMILES
- O.[Ca].CC(C(O)=O)c1cccc(Oc2ccccc2)c1
- CAS データベース
- 53746 · 53746-45-5(CAS DataBase Reference)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
危険有害性情報
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Fenoprofen calcium
vMost-DILI-concern
8
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
安全データ
- wgk
- 3
- rtecs
- CY1678900
- 毒性
- LD50 orally in mice: 800 mg/kg (Emmerson)
- hs_code
- 2918992090
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
化学と産業
薬理情報
FDA Pharmacological Classification
FENOPROFEN CALCIUM
Anti-Inflammatory Agents, Non-Steroidal [CS]; Nonsteroidal Anti-inflammatory Drug [EPC]; Cyclooxygenase Inhibitors [MoA]
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
応用分野
使用Antiinflammatory;Cyclooxygenase inhibitor
サプライヤー90 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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