Warfarin

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Systematic / IUPAC Name: 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one

ID: Reference937

Other Names: 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-;
4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one;
(Phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarine;
3-(α-Phenyl-β-acetylethyl)-4-hydroxycoumarin;
Coumarin, 3-(α-acetonylbenzyl)-4-hydroxy- ; more

Formula: C19H16O4

Class: Therapeutics/Prescription Drugs Pesticides/Herbicides

Spectral Data

Warfarin 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 Elite; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 9
No. of Spectra 759
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 4/1/2015 11:29:08 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
InChI Key PJVWKTKQMONHTI-UHFFFAOYSA-N
Canonical SMILES CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
CAS 81812
Splash
Other Names 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-;
4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one;
(Phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarine;
3-(α-Phenyl-β-acetylethyl)-4-hydroxycoumarin;
Coumarin, 3-(α-acetonylbenzyl)-4-hydroxy-;
2-Hydroxy-3-(3-oxo-1-phenyl-butyl)chromen-4-one;
3-(Acetonylbenzyl)-4-hydroxycoumarin;
3-(α-Acetonylbenzyl)-4-hydroxycoumarin;
(Phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarin;
Coumafene;
Coumadin;
Prothromadin;
Coumafen;
Zoocoumarin;
Brumolin;
Coumefene;
Kypfarin;
Panwarfin;
Solfarin;
Dethmor;
Dethnel;
Kumader;
Kumadu;
Maveran;
Rosex;
Athrombine-K;
Vampirinip II;
Mar-frin;
Temus W;
Coumaphene;
Rattentraenke;
Kumatox;
Ratorex;
Rattunal;
Rodafarin;
Warfarat;
Ratron;
D-Con;
Rats-no-more;
Tox-hid;
Rat-gard;
Rat-kill;
Rat-trol;
Rat-a-way;
Rat-mix;
Ratoxin;
Warfarin +;
Ratron G;
Coumaphen;
Warficide;
Ratox;
Waran;
Athrombin-K;
Warf 10;
Rax;
Warfant;
Sakarat;
Sewarin

In Other Databases

ChEBI CHEBI:10033
ChemSpider 10442445; 21234283
PubChem 54678486
KEGG C01541; D08682
ChEMBL CHEMBL1464
Wikipedia Warfarin