CAS 38677-85-9 Flunixin (HCID 38081)

名称と識別子

優先名称: Flunixin
IUPAC: 2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
現地名: フルニキシン
英語名: FLUNIXIN MEGLUMINE
分子式: C14H11F3N2O2
分子量: 296.24

名称と別名

FLUNIXIN38677-85-9FlunixineFlunixinoSch 14714FlunixinumSCH-14714CHEBI:761382-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid356IB1O4002(2'-Methyl-3'-trifluoromethylanilino)nicotinic acidDTXSID4048565

名称をさらに表示

フルニキシン2-[[2-メチル-3-(トリフルオロメチル)フェニル]アミノ]-3-ピリジンカルボン酸2-{[2-メチル-3-(トリフルオロメチル)フェニル]アミノ}ピリジン-3-カルボン酸フルニキシン標準品BANAMINEBUTANIXINFlunixin VETRANALFlunixin MeglimineC13726900 FlunixinFlunixin in methanolFlunixinMeglumineBasedisodium salt hydrateFLUNIXIN MEGLUMINE SALT

3-Pyridinecarboxylic acid, 2-((2-methyl-3-(trifluoromethyl)phenyl)amino)-2-((2-methyl-3-(trifluoromethyl)phenyl)amino)-3-pyridinecarboxylic acid2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-2-(2-methyl-3-(trifluoromethyl)anilino)pyridine-3-carboxylic acidBanamine-SBanamine TransdermalRefChem:57817

データベース識別子

CAS: 38677-85-9
PubChem CID: 38081
DTXSID: DTXSID4048565
ChEMBL: CHEMBL1617398
ChEBI: CHEBI:76138
UNII: 356IB1O400
EC Number: 609-571-6
Nikkaji: J15.816J

物性

構造計算による物性

XLogP: 4.1
極性表面積: 62.2 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 3
重原子数: 21
形式電荷: 0
複雑度: 376

実験および物理化学的性質

Collision Cross Section159.1 Å² [M+H]+ [CCS Type: TW]

物理化学的性質

融点: 136.6 · 136.6-137.4 °C
沸点: 378.7 · 378.7±42.0 °C(Predicted)
比重(密度): 1.403 · 1.403±0.06 g/cm3(Predicted)
溶解性: 2 O: · H2O: 溶けやすい
外見: 個体
酸解離定数(Pka): 5.82 · 5.82(at 25℃)
色: オフホワイト
安定性: 安定。強塩基、強酸化剤とは相容れない。
主な用途: 法医学と毒物学医薬品（低分子化合物）
InChI: 1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKey: NOOCSNJCXJYGPE-UHFFFAOYSA-N
SMILES: Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F
CAS データベース: 38677 · 38677-85-9(CAS DataBase Reference)
EPAの化学物質情報: 3 · 3-Pyridinecarboxylic acid, 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]- (38677-85-9)

化学的性質

化学的特性Crystalline Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (93.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationFlunixin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 3 (93.3%)

法規制情報

Regulatory InformationFlunixin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

wgk: 3
rtecs: LZ4367000
ridadr: UN2811 6.1/PG 3
hs_code: 2933399990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 3 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

薬理情報

ATC CodeQM - Musculo-skeletal system；QM01 - Antiinflammatory and antirheumatic products；QM01A - Antiinflammatory and antirheumatic products, non-steroids；QM01AG - Fenamates；QM01AG90 - Flunixin

MeSH Pharmacological Classification · 2 件

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.

Drugs that are used to reduce body temperature in fever.

用途と製造

Use Classification · 2 件

Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients

Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

応用分野

使用Cyclooxigenase inhibitor. Anti-inflammatory; analgesic; antipyretic

一般的な説明Flunixin is classified under the group of non-steroidal anti-inflammatory drugs (NSAIDs).

サプライヤー47 社

武汉欣扬瑞和化学科技有限公司18171205315; 18171205315 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

LGM Pharma1-(800)-881-8210 · [email protected]

Syntechem Co.,Ltd[email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

補足説明 · 1 件

定義ChEBI: A pyridinemonocarboxylic acid that is nicotinic acid substituted at position 2 by a 2-methyl-3-(trifluoromethyl)phenylamino group. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic properties; sed in veterinary medicine (usually as the meglumine salt) for treatment of horses, cattle and pigs.