Etodolac
Lodine · Hypen · Etopen · Edolan · RAK-591 · Osteluc · Etodine · Napilac
식별자 및 물리적 특성
| CAS No. | 41340-25-4 |
|---|---|
| 분자식 | C17H21NO3 |
| 평균 분자량 | 287.35 g/mol |
| 단동위원소 질량 | 287.15214353 g/mol |
| SMILES | CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3 |
| InChIKey | NNYBQONXHNTVIJ-UHFFFAOYSA-N |
| PubChem CID | 3308 |
| ChEMBL | CHEMBL622 |
| ChEBI | CHEBI:4909 |
| EC No. | 629-689-1 |
| DTXSID | DTXSID9020615 |
화학 및 물리적 성질
| XLogP | 2.8 |
|---|---|
| 극성 표면적 | 62.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 399 |
| 의약품 | DEA NFLIS-Drug Category -> AnalgesicsPharmaceuticalsPharmaceuticals -> Used in Switzerland |
| LogP(분배 계수) | 2.52.75 |
| 용해도 | 3.92e-02 g/L물에는 거의 녹지 않으며, 아세톤과 에탄올에는 잘 녹습니다(96%). |
| Human Drugs | Breast FeedingLactationMilk, HumanAnalgesic AgentsAnti-inflammatory Agents, NonsteroidalFDA approved drugs -> Active ingredientPharmaceuticals |
| Animal Drugs | Active Ingredients (Etodolac) -> FDA Greenbook |
| 녹는점 | 145 - 148 °C145-1480C |
| Physical Description | Solid |
| Dissociation Constants | 4.65 |
| Collision Cross Section | 164.4 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]163.36 Ų [M+H]+ [CCS Type: TW |
| 끓는 점 | 507.9±45.0 °C(Predicted) |
| 밀도 | 1.193±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | Solid |
| pKa(산도 계수) | 4.65(at 25℃) |
| 색상 | White to Orange to Green |
| 용해도 | 40mg/L(37℃) |
| Merck | 14,3874 |
| BCS Class | 2 |
| 주요 응용 | 의약품(소분자) |
| InChI | 1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) |
| InChIKey | NNYBQONXHNTVIJ-QGZVFWFLSA-N |
| SMILES | CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12 |
| EPA | Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro- (41340-25-4) |
화학적 성질
Crystalline Solid
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P318, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Hazard Traits - Developmental ToxicityReproductive ToxicityEtodolac: 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 Categories | Acute Tox. 3 (100%) |
| Hepatotoxicity | Prospective studies show that 1% to 2% of patients taking etodolac experience at least transient serum aminotransferase elevations. These may resolve even with drug continuation. Marked aminotransferase elevations (greater than 3 fold elevated) occur in less than 1% of patients. |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)EtodolacvMost-DILI-concern8Warnings & precautionsDOI:10.1016/j.drudis.2016.02.015 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation◈ What is etodolac? |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | UQ0360000 |
| 운송 번호(UN) | 3249 |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 23/24/25-40-36-25-36/37/38 |
| 위험 표시 | T,Xi |
| 안전 문구(S) | 22-36-45-26-36/37 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Acute Tox. 3 Oral |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
개요
Etodolac (etodolic acid) is a non-steroidal antiinflammatory/analgesic agent useful in the treatment of various inflammatory conditions, including rheumatoid and osteoarthritis.
용도
Etodolac is a non-steroidal anti-inflammatory drug (NSAID) that selectively inhibits cyclooxygenase-2 (COX-2). Etodolac displays anti-inflammatory effects in both adjuvant arthritic and normal rats. E todolac is an anti-inflammatory; analgesic.
일반 설명
Etodolac (Lodine, Ultradol), a chiral, COX-2 selectiveNSAID drug that is marketed as a racemate, possesses an indolering as the aryl portion of this group of NSAID drugs.It shares many similar properties of this group and is indicatedfor short- and long-term management of pain and OA.Similar to ketorolac, etodolac exhibits several uniqueenantioselective pharmacokinetic properties. For example,the “inactive” (R)-enantiomer has approximately a 10-foldhigher plasma concentration than the active (S)-enantiomer.Furthermore, the active (S)-enantiomer is less protein boundthan its (R)-enantiomer and therefore has a very large volumeof distribution. It is well absorbed with an elimination halflifeof 6 to 8 hours. Etodolac is extensively metabolized intothree major inactive metabolites, 6-hydroxy etodolac (via aromatichydroxylation), 7-hydroxy-etodolac (via aromatic hydroxylation),and 8-(1'-hydroxylethyl) etodolac (via benzylichydroxylation), which are eliminated as the correspondingether glucuronides. Its unstable, acyl glucuronide, however,is subject to enterohepatic circulation and reactivation tothe parent drug, similar to other NSAIDS in this class.