Flufenamic Acid (HCID 3371)

개요

Flufenamic acid is an aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It is an aromatic amino acid and an organofluorine compound. It is functionally related to an anthranilic acid, a (trifluoromethyl)benzene and a diphenylamine. It is a conjugate acid of a flufenamate.

이름 및 식별자

우선 이름: Flufenamic Acid
IUPAC: 2-[3-(trifluoromethyl)anilino]benzoic acid
현지명: 플루페나믹 산
영어명: Flufenamic acid
분자식: C14H10F3NO2
분자량: 281.23

이름 및 동의어

flufenamic acid530-78-9ArlefFluphenamic acidAchless2-((3-(Trifluoromethyl)phenyl)amino)benzoic acidAcido flufenamicoN-(3-Trifluoromethylphenyl)anthranilic acidFlufenaminsaeureMeralenAcide flufenamique2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid

이름 더 보기

플루페나믹산FAFFAFlufenamicX25CyaYFARRci440ANT-1

2-[3-(Trifluoromethyl)anilino]benzoic acidCI 440NSC-82699Acidum flufenamicum2-[[3-(Trifluoromethyl)phenyl]amino]benzoic acidCN-27,5543'-Trifluoromethyldiphenylamine-2-carboxylic acidINF-1837

데이터베이스 식별자

CAS: 530-78-9
PubChem CID: 3371
DTXSID: DTXSID7023063
ChEMBL: CHEMBL23588
ChEBI: CHEBI:42638
UNII: 60GCX7Y6BH
EC Number: 208-494-1
Nikkaji: J2.064H

물성

구조 계산 물성

XLogP: 5.2
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 346

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

Drugs · 3건

Pharmaceuticals

Pharmaceuticals -> Musculo-skeletal system -> Anti-inflammatory and antirheumatic products

Pharmaceuticals -> Listed in ZINC15

LogP4.47

Solubility>42.2 [ug/mL] (The mean of the results at pH 7.4)

Human DrugsPharmaceuticals

Dissociation Constants4.09

물리화학적 성질

녹는점: 132 · 132-135 °C(lit.)
끓는 점: 373.9 · 373.9±42.0 °C(Predicted)
밀도: 1.338 · 1.3380 (estimate)
증기압: 0 Pa · 0Pa at 25℃
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 11 · 에탄올, DMSO, 디메틸 포름아미드와 같은 유기용매에 용해됩니다. 이들 용매에 대한 플루페남산의 용해도는 각각 약 11, 39 및 59mg/ml입니다.
산도 계수 (pKa): 3.9 · pKa 3.9 (Uncertain);3.85 (Uncertain)
물리적 상태: 결정질 분말 또는 덩어리
색상: 회백색에서 회색 녹색까지
수용성: 0.0265 g/L · 0.0265 g/L (37 ºC)
Merck: 14 · 14,4132
BRN: 1996069 · 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: 5.25 · 5.25
NIST: Flufenamic acid(530-78-9)

화학적 성질 · 1건

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

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.8% (1 of 120) of reports.

Danger

H301 (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.

유해성 정보

Regulatory InformationREACH registered substance: Flufenamic acid (EC: 208-494-1)

Other Safety InformationIMAP assessments - Benzoic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-: Environment tier I assessment

Hazard Classes and CategoriesAcute Tox. 3 (95.8%)

안전 데이터

wgk: 3
rtecs: CB4375000
ridadr: UN 2811 6.1/PG 3
독성: LD50 in mice: 715 mg/kg orally (Zoni)
HS 번호: 29224999
risk_code: 22-36/38
hazard_code: Xn
safety_code: 26
포장분류: III
위험 등급: 6.1(b)
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

ATC Code · 2건

M - Musculo-skeletal system

QM - Musculo-skeletal system

MeSH Pharmacological ClassificationSubstances that reduce or suppress INFLAMMATION.

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >250

Use ClassificationPharmaceuticals

응용 분야 · 1건

용도Flufenamic 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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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