기본 정보
- CAS
53746-45-5- 표준 SMILES
CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.O.O.[Ca+2]- InChIKey
LZPBLUATTGKZBH-UHFFFAOYSA-L- 분자식
- C30H30CaO8
- 평균 분자량
- 558.6 g/mol
- 단동위원소 질량
- 558.1566588
개요
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).
이름 및 식별자
- 우선 이름
- Fenoprofen Calcium
- IUPAC
- calcium;bis(2-(3-phenoxyphenyl)propanoate);dihydrate
- 현지명
- 페노프로펜 칼슘, 이수화물
- 영어명
- Fenoprofen calcium salt hydrate
- 분자식
- C30H30CaO8
- 분자량
- 558.63
이름 및 동의어
Fenoprofen calcium dihydrateFenoprofen calcium53746-45-5NalgesicFenopronFepronaFepronCalcium 2-(m-phenoxyphenyl)propionate dihydrate0X2CW1QABJFENOPRON TM(+-)-alpha-Methyl-3-phenoxybenzeneacetic acid calcium salt dihydrateCHEBI:5005
이름 더 보기
페노프로펜칼슘,이수화물페노프로펜칼슘,이수화물(FENOPROFENCALCIUM,DIHYDRATE)progesicym-09229lilly69323FENOPROFEN CAnalfonhydrateSOME:0X2CW1QABJ
DTXSID80904653RefChem:56501DTXCID501333770260-133-771720-56-4Fenoprofen calcium hydrateFenoprofen calcium salt dihydratecalcium 2-(3-phenoxyphenyl)propanoate dihydrate
데이터베이스 식별자
- CAS
53746-45-5、71720-56-4- PubChem CID
- 64747
- DTXSID
DTXSID6045587- ChEMBL
CHEMBL2103736
물성
구조 계산 물성
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 265
실험 및 물리화학적 성질
Human Drugs
Breast Feeding; Lactation; Milk, Human; Analgesic Agents; Anti-inflammatory Agents, Nonsteroidal
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 94 oC · >94oC (dec.)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨,가열, 초음파 처리), DMSO (약간 용해됨)
- 산도 계수 (pKa)
- 4.5 · 4.5(at 25℃)
- 색상
- 흰색에서 황백색까지
- 안정성
- 흡습성
- 주요 응용
- 법의학 및 독성학의약품(소분자)수의사
- 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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]
유해성 정보
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
독성 정보
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
안전 데이터
- wgk
- 3
- rtecs
- CY1678900
- 독성
- LD50 orally in mice: 800 mg/kg (Emmerson)
- HS 번호
- 2918992090
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
화학 및 산업
약리 정보
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.
응용 분야
용도Antiinflammatory;Cyclooxygenase inhibitor
공급사90 곳
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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