Ethyl-6-decyloxy-7-ethoxy-4-hydroxy-3-chinolinat

deccox · e 756 · Decox · Decoxy · HC-1528 · Nsc339057 · Aids106129 · Ketoxifene

Identifikatoren & physikalische Daten

CAS No.	18507-89-6
Summenformel	C24H35NO5
Durchschnittliche Molmasse	417,5 g/mol
Monoisotopische Masse	417,25152322 g/mol
SMILES	CCCCCCCCCCOc1cc2c(=O)c(C(=O)OCC)c[nH]c2cc1OCC
InChIKey	JHAYEQICABJSTP-UHFFFAOYSA-N
PubChem CID	29112
ChEMBL	CHEMBL416230
EC No.	242-389-1
DTXSID	DTXSID5046851
Lokaler Name	Ethyl-6-decyloxy-7-ethoxy-4-hydroxy-3-chinolinat

XLogP	6,8
Polarare Oberfläche (TPSA)	73,9
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	15
Schwere Atome	30
Formalladung	0
Komplexität	562
Animal Drugs	FDA approved animal drugs -> Active ingredient
Collision Cross Section	217 Å² [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]216.2 Å² [M+H]+ [CCS Type: TW
Schmelzpunkt	241.0 to 245.0 °C
Siedepunkt	517.9±45.0 °C(Predicted)
Dichte	1.091±0.06 g/cm3(Predicted)
Lagerbedingungen	Inert atmosphere,Room Temperature
Löslichkeit	Chloroform (Slightly, Heated), Methanol (Slightly, Heated, Sonicated)
pKa (Säurekonstante)	2.60±0.50(Predicted)
Aggregatzustand	Solid
Farbe	Off-White to Pale Beige
Merck	14,2854
Hauptanwendungen	forensics and toxicologypharmaceutical (small molecule)
InChI	InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)
InChIKey	JHAYEQICABJSTP-UHFFFAOYSA-N
SMILES	N1C2C(=CC(OCCCCCCCCCC)=C(OCC)C=2)C(O)=C(C(OCC)=O)C=1
LogP (Verteilungskoeffizient)	8.740 (est)
CAS Datenbank	18507-89-6(CAS DataBase Reference)
EPA chemische Informationen	Decoquinate (18507-89-6)

GHS-Einstufung	H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 1 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: 3-Quinolinecarboxylic acid, 6-(decyloxy)-7-ethoxy-4-hydroxy-, ethyl esterRegulation (EC) No 1831/2003 (amended)Decoquinate: 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	Aquatic Chronic 4 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29334900
RTECS-Nr.	VB1983800
Sicherheitshinweise (S)	24/25
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Aquatic Chronic 4

Decoquinate is a quinolone coccidiostat used in veterinary medicine, in particular as animal feed for poultry.