Compound: COUMATETRALYL
SMILES: O=c1oc2c(cccc2)c(c1C3c4c(cccc4)CCC3)O
InChIKey: ULSLJYXHZDTLQK-UHFFFAOYSA-N
Synonyms: COUMATETRALYL, 5836-29-3, Racumin, Endrocid, Endrocide, Rodentin, Endox, Raucumin 57, Cumatetralyl, Bayer 25 634, BAY ene 11183 B, 3-(d-Tetralyl)-4-hydroxycoumarin, ENE 11183 B, BAY 25634, 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)coumarin, DTXSID8041799, 3-(alpha-Tetral)-4-oxycoumarin, NWK4HW86A8, 3-(alpha-Tetralyl)-4-hydroxycoumarin, 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2H-1-benzopyran-2-one, Coumarin, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)-, 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)-cumarin, 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-, 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naftyl)-cumarine, 4-Idrossi-3-(1,2,3,4-tetraidro-1-naftil)-cumarina, 3-(1,2,3,4-Tetrahydro-1-naphtyl)-4-hydroxycoumarine, DTXCID6021799, coumateralyl, RefChem:128250, 227-424-0, 3-(.alpha.-Tetralyl)-4-hydroxycoumarin, Caswell No. 496A, Coumatetralyl [BSI:ISO], Cumatetralyl [German, Dutch], CCRIS 6923, Coumatetralyl [ISO], HSDB 1725, EINECS 227-424-0, UNII-NWK4HW86A8, EPA Pesticide Chemical Code 496100, 4-Hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromen-2-one, BRN 1323631, Coumetralyl, 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycumarin [German], 3-(1,2,3,4-Tetrahydro-1-naphtyl)-4-hydroxycoumarine [French], 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naftyl)-cumarine [Dutch], 4-Idrossi-3-(1,2,3,4-tetraidro-1-naftil)-cumarina [Italian], COUMATETRALYL [HSDB], SCHEMBL137261, 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycumarin, SCHEMBL5933927, 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycoumarin, CHEMBL3184636, SCHEMBL29449858, CHEBI:80742, 3-(1-Tetralyl)-4-hydroxycoumarin, MSK23009, Tox21_301252, MFCD09954502, AKOS015903266, FC20577, NCGC00255682-01, AC-12689, 3-(.alpha.-Tetralinyl)-4-hydroxycoumarin, 4-hydroxy-3-tetralin-1-yl-chromen-2-one, CAS-5836-29-3, 3-(.ALPHA.-TETRAL)-4-OXYCOUMARIN, NS00047085, Coumatetralyl, PESTANAL(R), analytical standard, Q415772, 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycoumarine, 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one, 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2H-chromen-2-one #, 4-Hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1-benzopyran-2-one, 2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(1,2,3,4-TETRAHYDRO-1- NAPHTHALENYL)-, 4-HYDROXY-3-(1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)-2H-1- BENZOPYRAN-2-ONE
Theoretical properties:
molecular_formula: C19H16O3
molecular_weight: 292.3 g/mol
exact_mass: 292.109944368 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 22
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless crystals
color: Colorless crystals
odor: ODORLESS
melting_point: 349 °F (EPA, 1998)
solubility: In water, 425 mg/L at 20 °C and pH 7
vapor_pressure: 8.5X10-6 mPa /6.38X10-11 mm Hg/ at 20 °C
Descriptions:
pubchem: Coumatetralyl is a hydroxycoumarin.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Coumatetralyl is an anticoagulant of the 4-hydroxycoumarin vitamin K antagonist type used as a rodenticide.