Grundinformationen
- Standard-SMILES
CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3- InChIKey
NNYBQONXHNTVIJ-UHFFFAOYSA-N- Summenformel
- C17H21NO3
- Durchschnittliche Molmasse
- 287,35 g/mol
- Monoisotopische Masse
- 287,15214353
Überblick
Etodolac can cause developmental toxicity and female reproductive toxicity according to state or federal government labeling requirements.
Namen und Bezeichner
- Bevorzugter Name
- Etodolac
- IUPAC
- 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
- Englischer Name
- Etodolac
- Summenformel
- C17H21NO3
- Molmasse
- 287.35
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
41340-25-4- PubChem CID
- 3308
- DTXSID
DTXSID9020615- ChEMBL
CHEMBL622- ChEBI
CHEBI:4909- UNII
- 2M36281008
- EC Number
- 629-689-1
- Nikkaji
- J16.541G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 62,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 399
Experimentelle und physikochemische Eigenschaften
Drugs
DEA NFLIS-Drug Category -> Analgesics
Pharmaceuticals
Pharmaceuticals -> Used in Switzerland
LogP
2.5
2.75
Human Drugs
Breast Feeding; Lactation; Milk, Human; Analgesic Agents; Anti-inflammatory Agents, Nonsteroidal
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Pharmaceuticals
Collision Cross Section
164.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
163.36 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 145 · 145-1480C
- Siedepunkt
- 507.9 · 507.9±45.0 °C(Predicted)
- Dichte
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Practically insoluble in water, freely soluble in acetone and in ethanol (96 per cent)
- Aggregatzustand
- Solid
- pka
- 4.65 · 4.65(at 25℃)
- Farbe
- White to Orange to Green
- Wasserlöslichkeit
- 40 mg/L · 40mg/L(37 ºC)
- Merck
- 14 · 14,3874
- BCS Class
- 2 · 2
- Major Application
- pharmaceutical (small molecule)
- 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
- CAS Datenbank
- 41340 · 41340-25-4(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro- (41340-25-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (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.
Gefahrenhinweise
Regulatory Information
Hazard Traits - Developmental Toxicity; Reproductive Toxicity
Etodolac: 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.
Toxikologische Informationen
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)
Etodolac
vMost-DILI-concern
8
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation
◉ Summary of Use during Lactation
◈ What is etodolac?
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3249
- hs_code
- 29349990
- RTECS-Nr.
- UQ0360000
- risk_code
- 23/24/25-40-36-25-36/37/38
- hazard_code
- T,Xi
- safety_code
- 22-36-45-26-36/37
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Pharmakologische Informationen
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
Pharmacodynamics
Etodolac is an anti-inflammatory agent with analgesic and antipyretic properties. It is used to treat osteoarthritis, rheumatoid arthritis and control acute pain. The therapeutic effects of etodolac are achieved via inhibition of the synthesis of prostaglandins involved in fever, pain, swelling and inflammation. Etodolac is administered as a racemate. As with other NSAIDs, the S-form has been shown to be active while the R-form is inactive. Both enantiomers are stable and there is no evidence of R- to S- conversion _in vivo_.
Mechanism of Action
Similar to other NSAIDs, the anti-inflammatory effects of etodolac result from inhibition of the enzyme cycooxygenase (COX). This decreases the synthesis of peripheral prostaglandins involved in mediating inflammation. Etodolac binds to the upper portion of the COX enzyme active site and prevents its substrate, arachidonic acid, from entering the active site. Etodolac was previously thought to be a non-selective COX inhibitor, but it is now known to be 5 – 50 times more selective for COX-2 than COX-1. Antipyresis may occur by central action on the hypothalamus, resulting in peripheral dilation, increased cutaneous blood flow, and subsequent heat loss.
Metabolism/Metabolites
Etodolac is extensively metabolized in the liver. Renal elimination of etodolac and its metabolites is the primary route of excretion (72%). Metabolites found in urine (with percents of the administered dose) are: unchanged etodolac (1%), etodolac glucuronide (13%), hydroxylated metabolites (6-, 7-, and 8-OH; 5%), hydroxylated metabolite glucuronides (20%), and unidentified metabolites (33%). Fecal excretion accounts for 16% of its elimination.
Etodolac has known human metabolites that include (2S,3S,4S,5R)-6-[2-(1,8-Diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
FDA Pharmacological Classification
2M36281008
ETODOLAC
Mechanisms of Action [MoA] - Cyclooxygenase Inhibitors
Chemical Structure [CS] - Anti-Inflammatory Agents, Non-Steroidal
Established Pharmacologic Class [EPC] - Nonsteroidal Anti-inflammatory Drug
Etodolac is a Nonsteroidal Anti-inflammatory Drug. The mechanism of action of etodolac is as a Cyclooxygenase Inhibitor.
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.
A subclass of cyclooxygenase inhibitors with specificity for CYCLOOXYGENASE-2.
Absorption, Distribution and Excretion
Based on mass balance studies, the systemic bioavailability of etodolac from either the tablet or capsule formulation is at least 80%.
It is not known whether etodolac is excreted in human milk; however, based on its physical-chemical properties, excretion into breast milk is expected. Etodolac is extensively metabolized in the liver. The hydroxylated-etodolac metabolites undergo further glucuronidation followed by renal excretion and partial elimination in the feces (16% of dose). Approximately 1% of a etodolac dose is excreted unchanged in the urine with 72% of the dose excreted into urine as parent drug plus metabolite.
390 mL/kg
Oral cl=49.1 mL/h/kg [Normal healthy adults]
Verwendung und Herstellung
Use Classification
Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Pharmaceuticals
Anwendungen
BeschreibungEtodolac (etodolic acid) is a non-steroidal antiinflammatory/analgesic agent useful in the treatment of various inflammatory conditions, including rheumatoid and osteoarthritis.
VerwendenEtodolac 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.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl moiety. A preferential inhibitor of cyclo-oxygenase 2 and non-steroidal anti-inflammatory, it is used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. Administered as the racemate, only the (S)-enantiomer is active.
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…