Dicoumarol

  • Formula: C19H12O6

  • Molecular weight: 336.30

  • Smiles: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O

  • Type: Coumarin

Download

Dicoumarol

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Dicoumarol

  • First synonym: None

  • Synonyms: dicumarol,dicoumarol,66-76-2,Bishydroxycoumarin,dicoumarin,melitoxin,bis-hydroxycoumarin,Antitrombosin,Baracoumin,Dicoumal,Dicuman,Dicumarine,Dicumol,Acadyl,Acavyl,Dufalone,Temparin,Trombosan,Kumoran,Cumid,Cuma,Dicumaol R,Dicoumarolum,3,3'-Methylenebis(4-hydroxycoumarin),Anathrombase,Apekumarol,Dicoumerol,Dicumarinum,Dicumarolum,Bis(4-hydroxycoumarin-3-yl)methane,Bis-3,3'-(4-hydroxycoumarinyl)methane,Di-(4-hydroxy-3-coumarinyl)methane,Dicumarolo,Dwukumarol,Di-4-hydroxy-3,3'-methylenedicoumarin,Dicumarol [USAN],3,3'-Methylen-bis(4-hydroxy-cumarin),3,3'-Methylene-bis(4-hydroxycoumarine),3,3'-Methylenebis(4-hydroxy-1,2-benzopyrone),3,3'-methylenebis(4-hydroxy-2H-chromen-2-one),NC 034,Dicumarol [INN-Spanish],Dicoumarolum [INN-Latin],3,3'-Methylenebis(4-hydroxy-2H-1-benzopyran-2-one),3,3'-Metilen-bis(4-idrossi-cumarina),3,3'-Methyleen-bis(4-hydroxy-cumarine),3,3'-methanediylbis(4-hydroxy-2H-chromen-2-one),NSC 17860,CCRIS 3713,NSC 221570,2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy-,HSDB 3223,Bis-3,3'-(4-oxycoumarinyl)ethylacetate,Coumarin, 3,3'-methylenebis(4-hydroxy-,UNII-7QID3E7BG7,EINECS 200-632-9,7QID3E7BG7,4,4'-Dihydroxy-3,3'-methylene bis coumarin,NSC 41834,NSC-17860,NSC-41834,Dicoumarol (INN),Dicoumarol [INN],3,3'-Methylenebis[4-hydroxycoumarin],Dicumarol (USAN),3,3'-Methylene-bis(4-hydroxycoumarin),BRN 0335444,CHEBI:4513,DTXSID8021729,AI3-14546,2H-1-Benzopyran-2-one), 3,3'-methylenebis(4-hydroxy-,Dicumarol [USAN:USP],NSC41834,MFCD00006857,NSC-221570,4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one,CHEMBL1466,DTXCID701729,4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-2H-chromen-2-one,5-19-06-00682 (Beilstein Handbook Reference),NSC17860,3,2-benzopyrone],CAS-66-76-2,Dicumarolo [DCIT],NCGC00016296-01,Dwukumarol [Polish],Dikumarol,Dicumarol (USAN:USP),Dicumarol (INN-Spanish),Dicoumarolum (INN-Latin),DICOUMAROL (MART.),DICOUMAROL [MART.],3,3'-Methylenebis[4-hydroxy-1,2-benzopyrone],CHEMBL43154,3,3'-Methylenebis[4-hydroxy-2H-1-benzopyran-2-one],2H-1-Benzopyran-2-one, 3,3'-methylenebis(4-hydroxy-,Coumarin,3'-methylenebis[4-hydroxy-,Dicumarol (TN),NSC221570,WLN: T66 BOVJ EQ D1- DT66 BOVJ EQ,SR-05000001605,2H-1-Benzopyran-2-one,3'-methylenebis[4-hydroxy-,2H-1-Benzopyran-2-one],3'-methylenebis[4-hydroxy-,3,3'-Methylen-bis(4-hydroxy-cumarin) [German],3,3'-Methyleen-bis(4-hydroxy-cumarine) [Dutch],3,3'-Methylene-bis(4-hydroxycoumarine) [French],3,3'-Metilen-bis(4-idrossi-cumarina) [Italian],Dicumarol?,4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-2H-chromen-2-one,uncoupler of oxidative respiration,Prestwick_90,2H-1-Benzopyran-2-one, 3,3'-methylenebis(4-hydroxy)-,Spectrum_000165,DICUMAROL [MI],DICUMAROL [HSDB],Prestwick0_000785,Prestwick1_000785,Prestwick2_000785,Prestwick3_000785,Spectrum2_000144,Spectrum3_000387,Spectrum4_000508,Spectrum5_000871,DICUMAROL [VANDF],M0216,ChemDiv2_003436,DICOUMAROL [WHO-DD],DICOUMAROL [WHO-IP],Oprea1_150990,SCHEMBL33891,SCHEMBL33892,BSPBio_000890,BSPBio_002173,CBDivE_003005,KBioGR_001055,KBioSS_000645,DivK1c_000896,SPECTRUM1500239,SPBio_000248,SPBio_002829,BPBio1_000980,GTPL6808,DICUMAROL [ORANGE BOOK],BDBM35525,HMS502M18,KBio1_000896,KBio2_000645,KBio2_003213,KBio2_005781,KBio3_001393,B01AA01,Dicoumarol - CAS 66-76-2,NINDS_000896,HMS1378M04,HMS1570M12,HMS1920E20,HMS2091M10,HMS2097M12,HMS3652P10,HMS3714M12,HMS3744M19,HMS3865F03,Pharmakon1600-01500239,DICOUMAROLUM [WHO-IP LATIN],HY-N0645,Tox21_110357,3,3'-Methylenbis(4-hydroxycumarin),BBL008904,CCG-34550,NSC756733,s4299,STK801287,AKOS000520650,Tox21_110357_1,CS-7962,DB00266,NSC-756733,IDI1_000896,NCGC00016296-02,NCGC00016296-03,NCGC00016296-04,NCGC00016296-05,NCGC00016296-07,NCGC00094650-01,NCGC00094650-02,AS-19619,SY148056,SBI-0051343.P003,NS00001589,SW196402-3,3,3''''''''-methylenebis[4-hydroxycoumarin,3,3'-Methylene-bis(4-hydroxycoumarin), 99%,C00796,D03798,D91292,EN300-123537,SBI-0051343.0001,3,3''''''''-methylenebis(4-hydroxy-coumarin,3,3''''''''-methylenebis(4-hydroxycoumarin),AB00051966_05,Coumarin, 3,3'-methylenebis[4-hydroxy- (8CI),Q420886,SR-05000001605-1,SR-05000001605-3,SR-05000001605-4,W-203471,BRD-K82236179-001-05-0,BRD-K82236179-001-06-8,BRD-K82236179-213-01-0,Z57170530,2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy- (9CI),Dicumarol, United States Pharmacopeia (USP) Reference Standard,4-hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)methyl]chromen-2-one,3,3 inverted exclamation mark -Methylenebis(4-hydroxy-2H-chromen-2-one)

Identifiers / External links

Structure

  • Smiles: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O

  • Isomeric smiles: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O

  • Inchi: InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2

  • Inchikey: DOBMPNYZJYQDGZ-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H12O6

  • Molecular weight: 336.30

  • Monoisotopic mass: 336.0633881

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi