Compound: PHENPROCOUMON
SMILES: O=c1oc2c(cccc2)c(c1C(c3ccccc3)CC)O
InChIKey: DQDAYGNAKTZFIW-UHFFFAOYSA-N
Synonyms: PHENPROCOUMON, 435-97-2, Phenprocoumarol, Phenprocoumarole, 4-Hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one, Liquamar, Marcumar, Marcoumar, Fencumar, Falithrom, Phenprocoumone, Phenprocumone, Fenprocumone, Phenprocoumonum, 3-(1-Phenylpropyl)-4-hydroxycoumarin, 4-Hydroxy-3-(1-phenylpropyl)-2H-1-benzopyran-2-one, fenprocumon, 3-(alpha-Ethylbenzyl)-4-hydroxycoumarin, 3-(1'-Phenyl-propyl)-4-oxycoumarin, Ro 1-4849, 3-(alpha-Phenylpropyl)-4-hydroxycoumarin, 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-phenylpropyl)-, Q08SIO485D, DTXSID5023459, RO-1-4849, Coumarin, 3-(alpha-ethylbenzyl)-4-hydroxy-, BS-7565, Phenprocoumalol, CHEBI:50438, 5-18-02-00343 (Beilstein Handbook Reference), Phenylpropylhydroxycumarinum, RefChem:56663, DTXCID203459, B01AA04, 207-108-9, Fenprocumone [DCIT], 4-hydroxy-3-(1-phenylpropyl)chromen-2-one, 2-hydroxy-3-(1-phenylpropyl)-4H-chromen-4-one, Phenprocoumon (Marcumar), Phenprocumonum, 70206-44-9, Fenprocoumona, Coumarin, 3-(.alpha.-ethylbenzyl)-4-hydroxy-, CHEMBL16694, Fenprocoumona [INN-Spanish], Phenprocoumone [INN-French], Phenprocoumonum [INN-Latin], 2H-1-Benzopyran-2-one, 4-hydroxy-3-[(1R)-1-phenylpropyl]-, Liquamar (TN), HSDB 3248, EINECS 207-108-9, 3-(1'-Phenyl-propyl)-4-oxycoumarin [German], Phenprocoumon (USAN/INN), BRN 1291115, UNII-Q08SIO485D, Phenprocoumon [USAN:USP:INN:BAN], MFCD00865273, PHENPROCOUMON [MI], PHENPROCOUMON [INN], U29342, CHEMBL1465, PHENPROCOUMON [HSDB], PHENPROCOUMON [USAN], Oprea1_002598, SCHEMBL43031, BDBM768, PHENPROCOUMON [VANDF], MLS006010940, PHENPROCOUMON [MART.], (+/-)-PHENPROCOUMON, PHENPROCOUMON [WHO-DD], GTPL6839, orb1299639, SCHEMBL1651720, SCHEMBL8868094, SCHEMBL8868104, SCHEMBL29392123, GLXC-08020, HMS5080G18, PHENPROCOUMON [ORANGE BOOK], AAA43597, HY-A0145, EBC-06784, EBC-26022, MSK156914, s2188, 3-(a-ethyl-benzyl)-4-hydroxycoumarin, AKOS002126557, AKOS016844146, DB00946, NCGC00346442-02, AS-77043, DA-66664, PD071699, SMR004703040, 3-(.alpha.-Ethylbenzyl)-4-hydroxycoumarin, CS-0017467, NS00043894, Phenprocoumon 100 microg/mL in Acetonitrile, D05457, D82043, EN300-219939, 435-97-2,53621-47-9 (sodium salt), Q267896, 3-(.ALPHA.-PHENYLPROPYL)-4-HYDROXYCOUMARIN, 4-Hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one #, doi:10.14272/DQDAYGNAKTZFIW-UHFFFAOYSA-N.1, BRD-A49838158-001-01-1, DL-3-(.ALPHA.-ETHYLBENZYL)-4-HYDROXYCOUMARIN, 4-HYDROXY-2-OXO-3-(1-PHENYLPROPYL)-2H-CHROMENE, Z2177958148, 2H-Pyran-2-one, 4-hydroxy-3-[[2-(1-methylethyl)phenyl]thio]-6-(3-methylphenyl)-, 5999-41-7
Theoretical properties:
molecular_formula: C18H16O3
molecular_weight: 280.3 g/mol
exact_mass: 280.109944368 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 21
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: FINE WHITE CRYSTALLINE POWDER
color: FINE WHITE CRYSTALLINE POWDER
odor: ODORLESS OR HAS SLIGHT ODOR
Descriptions:
pubchem: Phenprocoumon can cause developmental toxicity according to state or federal government labeling requirements.
chebi: A hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenylpropyl group.
chembl: PHENPROCOUMON is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is a long-acting anticoagulant to be taken by mouth, and a coumarin derivative. It acts as a vitamin K antagonist and inhibits blood clotting (coagulation) by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders such as heart attacks and pulmonary (lung) embolism. The most common adverse effect is bleeding. The drug interacts with a large number of other medications, including aspirin and St John's Wort. It is the standard coumarin used in Germany, Austria, and other European countries.