| Identification | Back Directory | [Name]
7-HYDROXYWARFARIN | [CAS]
17834-03-6 | [Synonyms]
7-HYDROXYWARFARIN
3-(α-acetonylbenzyl)-4,7-dihydrocoumarin
3-(α-Acetonylbenzyl)-4,7-dihydroxycouMarin
3-(ALPHA-ACETONYLBENZYL)-4,7-DIHYDROXYCOUMARIN
4-7-DIHYDROXY-3-(3-OXO-1-PHENYLBUTYL)-2H-1-BENZOPYRAN-2-ONE
3-(α-Acetonylbenzyl)-4,7-dihydrocoumarin, 4-7-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one | [Molecular Formula]
C19H16O5 | [MDL Number]
MFCD00272668 | [MOL File]
17834-03-6.mol | [Molecular Weight]
324.33 |
| Chemical Properties | Back Directory | [Appearance]
Off-White Solid | [Melting point ]
220 °C
| [Boiling point ]
572.1±50.0 °C(Predicted) | [density ]
1.384±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C
| [solubility ]
DMSO: soluble | [form ]
Solid | [pka]
4.50±1.00(Predicted) | [color ]
white
| [InChI]
1S/C19H16O5/c1-11(20)9-15(12-5-3-2-4-6-12)17-18(22)14-8-7-13(21)10-16(14)24-19(17)23/h2-8,10,15,21-22H,9H2,1H3 | [InChIKey]
SKFYEJMLNMTTJA-UHFFFAOYSA-N | [SMILES]
CC(CC(C1=C(O)C(C=CC(O)=C2)=C2OC1=O)C3=CC=CC=C3)=O |
| Hazard Information | Back Directory | [Chemical Properties]
Off-White Solid | [Uses]
A CYP2C9 metabolite of S-Warfarin | [Uses]
A metabolite of Warfarin (W498500) in humans. | [Definition]
ChEBI: 7-Hydroxywarfarin is a hydroxycoumarin. | [Biochem/physiol Actions]
CYP2C9 metabolite of (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: |
BOC Sciences
|
| Tel: |
1-631-485-4226; 16314854226 |
| Website: |
https://www.bocsci.com |
| Company Name: |
Sigma-Aldrich
|
| Tel: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
| Company Name: |
BOC Sciences
|
| Tel: |
16314854226 |
| Website: |
www.bocsci.com |
|