Decoquinate

CAT: 0926-FD20875Size: 0.5 KgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FD20875Size:0.5 Kg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

18507-89-6

Synonyms

6- (Decyloxy) -7-ethoxy-4-hydroxy3-quinolinecarboxylic acid ethyl ester; Deccox; Decoxy

Smiles

CCCCCCCCCCOC1=C (C=C2C (=C1) C (=O) C (=CN2) C (=O) OCC) OCC

Molecular Formula

C24H35NO5

Molecular Weight

417.54 g/mol

Controlled

Chemical Information

Decoquinate

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

CAS Number	18507-89-6
PubChem CID	29112
IUPAC Name	ethyl 6-decoxy-7-ethoxy-4-oxo-1H-quinoline-3-carboxylate
Molecular Formula	C24H35NO5
Molecular Weight	417.5
XLogP	6.8
Topological Polar Surface Area	73.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Heavy Atom Count	30
Formal Charge	0
Complexity	562

SMILES

CCCCCCCCCCOC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)OCC

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

Chemical Structure

2D Structure

CAS: 18507-89-6

CID: 29112

Formula: C24H35NO5

MW: 417.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	417.5
XLogP3	6.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Exact Mass	417.25152322
Monoisotopic Mass	417.25152322
Topological Polar Surface Area	73.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	562
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes