Decoquinate

HCID 29112CAS 18507-89-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCOc1cc2c(=O)c(C(=O)OCC)c[nH]c2cc1OCC
InChIKey
JHAYEQICABJSTP-UHFFFAOYSA-N
Molecular formula
C24H35NO5
Average molar mass
417.5 g/mol
Monoisotopic mass
417.25152322

Overview

Decoquinate is used in veterinary to delay the growth and reproduction of coccidian parasites.

Names & identifiers

Preferred name
Decoquinate
IUPAC
ethyl 6-decoxy-7-ethoxy-4-oxo-1H-quinoline-3-carboxylate
English name
Decoquinate
Molecular formula
C24H35NO5
Molecular weight
417.54

Names & synonyms

DECOQUINATE18507-89-6DeccoxDecoquinatoHC 1528DecoquinatumM&B 154973-Quinolinecarboxylic acid, 6-(decyloxy)-7-ethoxy-4-hydroxy-, ethyl esterDTXSID5046851Deccox MNSC-339057HC-1528
Show more names
e 756DecoxDecoxyNsc339057Aids106129KetoxifeneM & B 15497
534I52PVWHM&B-15497DTXCID3026851Deccox-M Medicated Powder for Whole MilkEthyl-6-(Decycloxy)-7-ethoxy-4-hydroxy-3-quinolinecarboxylateethyl 6-(decyloxy)-7-ethoxy-4-oxo-1,4-dihydroquinoline-3-carboxylateRefChem:549416-decoxy-7-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester

Database identifiers

CAS
18507-89-6
PubChem CID
29112
DTXSID
DTXSID5046851
ChEMBL
CHEMBL416230
UNII
534I52PVWH
EC Number
242-389-1
Nikkaji
J10.996G

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
15
Heavy atoms
30

Experimental & physicochemical properties

Animal DrugsFDA approved animal drugs -> Active ingredient
Collision Cross Section · 2 items

217 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

216.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Melting point
241 to · 241.0 to 245.0 °C
Boiling point
517.9 · 517.9±45.0 °C(Predicted)
Density
1.091 · 1.091±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
Chloroform (Slightly, Heated), Methanol (Slightly, Heated, Sonicated)
pka
2.6 · 2.60±0.50(Predicted)

Safety & regulation

GHS classification

GHS Classification · 3 items

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.

Hazard information

Regulatory Information · 3 items

Chemical: 3-Quinolinecarboxylic acid, 6-(decyloxy)-7-ethoxy-4-hydroxy-, ethyl ester

Regulation (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 CategoriesAquatic Chronic 4 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
VB1983800
hs_code
29334900
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Pharmacology

ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationAgents useful in the treatment or prevention of COCCIDIOSIS in man or animals.
Applications · 3 items

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

Usesmonoxycarbolic acid antibiotic

Usesantiviral

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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