Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
플루페나믹 산
플루페나믹산 · FA · FFA · Flufenamic · X25 · CyaY · FARR · ci440
식별자 및 물리적 특성
| CAS No. | 530-78-9 |
|---|---|
| 분자식 | C14H10F3NO2 |
| 평균 분자량 | 281.23 g/mol |
| 단동위원소 질량 | 281.06636322 g/mol |
| SMILES | O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1 |
| InChIKey | LPEPZBJOKDYZAD-UHFFFAOYSA-N |
| PubChem CID | 3371 |
| ChEMBL | CHEMBL23588 |
| ChEBI | CHEBI:42638 |
| EC No. | 208-494-1 |
| DTXSID | DTXSID7023063 |
| 현지명 | 플루페나믹 산 |
화학 및 물리적 성질
| XLogP | 5.2 |
|---|---|
| 극성 표면적 | 49.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 346 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| 의약품 | PharmaceuticalsPharmaceuticals -> Musculo-skeletal system -> Anti-inflammatory and antirheumatic productsPharmaceuticals -> Listed in ZINC15 |
| LogP(분배 계수) | 4.47 |
| 용해도 | >42.2 [ug/mL] (The mean of the results at pH 7.4)에탄올, DMSO, 디메틸 포름아미드와 같은 유기용매에 용해됩니다. 이들 용매에 대한 플루페남산의 용해도는 각각 약 11, 39 및 59mg/ml입니다. |
| Human Drugs | Pharmaceuticals |
| Dissociation Constants | 4.09 |
| Collision Cross Section | 160.9 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7023063] |
| 녹는점 | 132-135 °C(lit.) |
| 끓는 점 | 373.9±42.0 °C(Predicted) |
| 밀도 | 1.3380 (estimate) |
| 증기압 | 0Pa at 25℃ |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| pKa(산도 계수) | pKa 3.9 (Uncertain)3.85 (Uncertain) |
| 물리적 상태 | 결정질 분말 또는 덩어리 |
| 색상 | 회백색에서 회색 녹색까지 |
| 용해도 | 0.0265 g/L (37 ºC) |
| Merck | 14,4132 |
| BRN | 1996069 |
| 주요 응용 | 법의학 및 독성학의약품(소분자)수의사 |
| InChI | 1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) |
| InChIKey | LPEPZBJOKDYZAD-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F |
| LogP(분배 계수) | 5.25 |
| NIST | Flufenamic acid(530-78-9) |
화학적 성질
Fluomic acid is a Pale-Yellow or light yellow-green crystal or crystalline powder with bitter taste. It is almost insoluble in water and can be dissolved in 50% ethanol. It is a non-hormonal anti-inflammatory and analgesic drug. It was prepared by photolysis of the corresponding benzotriazinone.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.8% (1 of 120) of reports.DangerH301 (95.8%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 120 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | REACH registered substance: Flufenamic acid (EC: 208-494-1) |
| 기타 안전 정보 | IMAP assessments - Benzoic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 3 (95.8%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | CB4375000 |
| 운송 번호(UN) | UN 2811 6.1/PG 3 |
| 독성 | LD50 in mice: 715 mg/kg orally (Zoni) |
| 관세 코드 | 29224999 |
| 위험 문구(R) | 22-36/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
Flufenamic acid is used for moderate pain and dysmenorrhea, but it should not be used for more than 1 week due to the possibility of nephrotoxicity, gastrointestinal toxicity, and anemia. It is frequently used in combination with the anticoagulant warfarin, the effect of which is strengthened when combined with flufenamic acid.