CAS Number5543-57-7
SynonymsS-(−)-4-Hydroxy-3-(3-oxo-1-phenybutyl)-2H-1-benzopyran-2-one; ATHROMBIN; 4-Hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one; (-)-Warfarin; (S)-Warfarin; MFCD00272381; Varfine; Tintorane; 3-a-Phenyl-b-acetylethyl-4-hydroxycoumarin; Warfarin; (±)-Warfarin; (RS)-Warfarin; Warfilone; Warcoumin; 3-(α-acetonylbenzyl)-4-hydroxycoumarin; 3-(α-Phenyl-β-acetylethyl)-4-hydroxycoumarin; RODEX; 3-(a-acetonylbenzyl)-4-hydroxycoumarin; 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one; Warfarin,R; 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one; Antrombin K; Coumadin; Athrombin-K; (S)-(-)-Warfarin; Warfarin K; EINECS 226-907-3
Molecular FormulaC19H16O4
Molecular Weight308.328
Purity98%
Density1.3±0.1 g/cm3
Boiling Point515.2±50.0 °C at 760 mmHg
Melting Point≥170ºC
Appearancewhite to pale yellow
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5543-57-7 |
| Catalog No. | 2A-9000392 |
| Chinese Name | S-文拉法辛 |
| Synonyms | S-(−)-4-Hydroxy-3-(3-oxo-1-phenybutyl)-2H-1-benzopyran-2-one; ATHROMBIN; 4-Hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one; (-)-Warfarin; (S)-Warfarin; MFCD00272381; Varfine; Tintorane; 3-a-Phenyl-b-acetylethyl-4-hydroxycoumarin; Warfarin; (±)-Warfarin; (RS)-Warfarin; Warfilone; Warcoumin; 3-(α-acetonylbenzyl)-4-hydroxycoumarin; 3-(α-Phenyl-β-acetylethyl)-4-hydroxycoumarin; RODEX; 3-(a-acetonylbenzyl)-4-hydroxycoumarin; 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one; Warfarin,R; 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one; Antrombin K; Coumadin; Athrombin-K; (S)-(-)-Warfarin; Warfarin K; EINECS 226-907-3 |
| Molecular Formula | C19H16O4 |
| Molecular Weight | 308.328 |
| Purity | 98 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 515.2±50.0 °C at 760 mmHg |
| Melting Point | ≥170ºC |
| Appearance | white to pale yellow |
| Storage Condition | 2-8℃, avoid light, keep in a cool and dry place, s |
| Application | S-(-)-warfarin is the more effective enantiomer of warfarin as a vitamin K antagonist and has anticoagulant effects [1]. |
| HTC | 2932.29.2000 |
| UN(IATA) | UN 2811 |
| SMILES | CC(=O)CC(c1ccccc1)C2=C(O)Oc3ccccc3C2=O |
| 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/h2-10,15,22H,11H2,1H3 |
| InChI Key | InChIKey=QTXVAVXCBMYBJW-UHFFFAOYSA-N |
| Hazard Symbols | Transport |
| Risk Codes | 61-48/25-52/53 |
| Safety Description | 53-45-61 |
| Bioactivity | S-(-)-Warfarin is a more potent enantiomer of Warfarin as a vitamin K antagonist with anticoagulant effect[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Bai J, et al. Metabolic profiling of HepG2 cells incubated with S(-) and R(+) enantiomers of anti-coagulating drug warfarin. Metabolomics. 2011 Sep;7(3):353-362. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 515.2±50.0 °C at 760 mmHg Melting Point ≥170ºC Molecular Formula C19H16O4 Molecular Weight 308.328 Flash Point 188.8±23.6 °C Exact Mass 308.104858 PSA 67.51000 LogP 3.42 Appearance of Characters white to pale yellow Vapour Pressure 0.0±1.4 mmHg at 25°C Index of Refraction 1.635 Storage condition 2-8°C |
| Use of | S-(-)-Warfarin is a more potent enantiomer of Warfarin as a vitamin K antagonist with anticoagulant effect[1]. Properties Name (S)-warfarin Synonym More Synonyms Warfarin Biological Activity Description S-(-)-Warfarin is a more potent enantiomer of Warfarin as a vitamin K antagonist with anticoagulant effect[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References Chemical & Physical Properties Molecular Formula C19H16O4 Exact Mass 308.104858 PSA 67.51000 Appearance of Characters white to pale yellow Index of Refraction 1.635 |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. ((S)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone) IMDG: TOXIC SOLID, ORGANIC, N.O.S. ((S)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone) International air transport hazard regulations: Toxic solid, organic, n.o.s. ((S)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Dangerous Regulations for land transport: I International Dangerous Regulations for sea transport: I International Dangerous Regulations for air transport: I 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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