Etodolac

Lodine · Hypen · Etopen · Edolan · RAK-591 · Osteluc · Etodine · Napilac

Identifikatoren & physikalische Daten

CAS No.	41340-25-4
Summenformel	C17H21NO3
Durchschnittliche Molmasse	287,35 g/mol
Monoisotopische Masse	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

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	62,3
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	21
Formalladung	0
Komplexität	399
Arzneimittel	DEA NFLIS-Drug Category -> AnalgesicsPharmaceuticalsPharmaceuticals -> Used in Switzerland
LogP (Verteilungskoeffizient)	2.52.75
Löslichkeit	3.92e-02 g/LPractically insoluble in water, freely soluble in acetone and in ethanol (96 per cent)40mg/L(37 ºC)
Human Drugs	Breast FeedingLactationMilk, HumanAnalgesic AgentsAnti-inflammatory Agents, NonsteroidalFDA approved drugs -> Active ingredientPharmaceuticals
Animal Drugs	Active Ingredients (Etodolac) -> FDA Greenbook
Schmelzpunkt	145 - 148 °C145-1480C
Physical Description	Solid
Dissociation Constants	4.65
Collision Cross Section	164.4 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]163.36 Å² [M+H]+ [CCS Type: TW
Siedepunkt	507.9±45.0 °C(Predicted)
Dichte	1.193±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
Aggregatzustand	Solid
pKa (Säurekonstante)	4.65(at 25℃)
Farbe	White to Orange to Green
Merck	14,3874
BCS Class	2
Hauptanwendungen	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	41340-25-4(CAS DataBase Reference)
EPA chemische Informationen	Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro- (41340-25-4)

Sicherheit & Vorschriften

GHS-Einstufung	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.
Regulatorische Informationen	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?
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	3249
Zollcode	29349990
RTECS-Nr.	UQ0360000
R-Sätze (R)	23/24/25-40-36-25-36/37/38
Gefahrensymbole	T,Xi
Sicherheitshinweise (S)	22-36-45-26-36/37
Gefahrenklasse	6.1(b)Acute Tox. 3 Oral
Verpackungsgruppe	III
Lagerklasse	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

Anwendungen & Verwendung

Beschreibung

Etodolac (etodolic acid) is a non-steroidal antiinflammatory/analgesic agent useful in the treatment of various inflammatory conditions, including rheumatoid and osteoarthritis.

Verwenden

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.