Products for Research Use Only
RegisterLogin

Decoquinate-d5

CAT: 0931-TMIJ-0289-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TMIJ-0289-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1453100-61-2
Bioactivity
Decoquinate-d5 is a deuterated compound of Decoquinate. Decoquinate has a CAS number of 18507-89-6. Decoquinate is a coccidiostat for poultry.
Smiles
OC1=C(C(=O)OCC)C=NC2=CC(=C(C=C21)OCCCCCCCCCC)OC([2H])([2H])C([2H])([2H])[2H]
Molecular Formula
C24H30D5NO5
Molecular Weight
422.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl 6-decoxy-4-hydroxy-7-(1,1,2,2,2-pentadeuterioethoxy)quinoline-3-carboxylate
CAS Number1453100-61-2
PubChem CID117064464
IUPAC Nameethyl 6-decoxy-4-oxo-7-(1,1,2,2,2-pentadeuterioethoxy)-1H-quinoline-3-carboxylate
Molecular FormulaC24H35NO5
Molecular Weight422.6
XLogP6.8
Topological Polar Surface Area73.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count30
Formal Charge0
Complexity562
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC1=C(C=C2C(=C1)NC=C(C2=O)C(=O)OCC)OCCCCCCCCCC
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)/i2D3,5D2
InChIKey
JHAYEQICABJSTP-ZTIZGVCASA-N
Chemical Structure
2D Structure
2D structure of Ethyl 6-decoxy-4-hydroxy-7-(1,1,2,2,2-pentadeuterioethoxy)quinoline-3-carboxylate
CAS: 1453100-61-2
CID: 117064464
Formula: C24H35NO5
MW: 422.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.6
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass422.28290695
Monoisotopic Mass422.28290695
Topological Polar Surface Area73.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity562
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T0471-01Decoquinate
TMIJ-0480-01Terbutryn-d5 (ethyl-d5)
TMIJ-0475-01Terbuthylazine-d5 (ethyl-d5)
TMIJ-0468-01Atrazine-desisopropyl-d5 (ethylamino-d5)
TMIJ-0232-01Piperacillin-d5 (N-ethyl-d5)
T207780-01Epichlorohydrin D5
T203023-01PSMA-D5
T89650-01Camptothecin-d5
T89642-01Dxd-d5
T12485Pirfenidone-d5

Alternative Products

CatalogName
TRC-D226882-50MGDecoquinate-d5
TRC-D596264-100MGDecoquinate-d5 (7-Ethoxy-d5)
MBS342217-01Decoquinate

Popular Products