Dicumarol

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Systematic / IUPAC Name: 4-Hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one

ID: Reference1331

Other Names: Bishydroxycoumarin;
Bis(4-hydroxycoumarin-3-yl)methane;
Dicoumarol;
Dicoumarin;
Melitoxin ; more

Formula: C19H12O6

Class: Therapeutics/Prescription Drugs

Spectral Data

Dicumarol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 1145
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 12/4/2014 9:35:45 AM
View Mass Spec Data > >

Identificators

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
InChI Key DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
CAS 66762
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Other Names Bishydroxycoumarin;
Bis(4-hydroxycoumarin-3-yl)methane;
Dicoumarol;
Dicoumarin;
Melitoxin;
Antitrombosin;
Baracoumin;
Acadyl;
Acavyl;
Dicoumal;
Dicumarine;
Dufalone;
Temparin;
Trombosan;
Dicuman;
Dicumol;
Kumoran;
Cumid;
Cuma;
Anathrombase;
Dicoumerol;
Dikumarol

In Other Databases

Wikipedia Dicoumarol
ChEMBL CHEMBL1466
PubChem 54676038
KEGG C00796; D03798
ChemSpider 10183330
ChEBI CHEBI:4513
HMDb HMDB14411