| Identification | Back Directory | [Name]
4-HYDROXY-3-[1'-(4''-HYDROXYPHENYL)-3'-OXOBUTYL]-2H-1-BENZOPYRAN-2-ONE | [CAS]
24579-14-4 | [Synonyms]
4-HYDROXYWARFARIN
3-(α-Acetonyl-p-hydroxybenzyl)-4-hydroxycouMarin
3-[α-(2-Oxopropyl)-4-hydroxybenzyl]-4-hydroxycoumarin
4-Hydroxy-3-[1(4hydroxyphenl)-3oxobutyl]-2H-1-benzopyran-2-one
4-HYDROXY-3-[1'-(4''-HYDROXYPHENYL)-3'-OXOBUTYL]-2H-1-BENZOPYRAN-2-ONE | [Molecular Formula]
C19H16O5 | [MDL Number]
MFCD00272666 | [MOL File]
24579-14-4.mol | [Molecular Weight]
324.33 |
| Chemical Properties | Back Directory | [Appearance]
Off-White Solid | [Melting point ]
205-208°C | [storage temp. ]
2-8°C
| [solubility ]
DMSO: soluble | [form ]
Solid | [color ]
off-white
| [InChI]
1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21-22H,10H2,1H3 | [InChIKey]
RRZWAMPDGRWRPF-UHFFFAOYSA-N | [SMILES]
CC(=O)CC(c1ccc(O)cc1)C2=C(O)c3ccccc3OC2=O |
| Hazard Information | Back Directory | [Chemical Properties]
Off-White Solid | [Uses]
A metabolite of Warfarin (W498500) in humans. | [Uses]
A minor CYP3A4 metabolite of S-Warfarin | [Definition]
ChEBI: 4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one is a hydroxycoumarin. | [Biological Activity]
Minor CYP3A4 metabolite od (S)-warfarin. |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-41 | [Safety Statements ]
26-39 | [WGK Germany ]
3
| [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1 |
|
| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|