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7-Hydroxywarfarin

CAT: 0804-HY-139167-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-139167-02Size:10 mg
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Description
7-Hydroxywarfarin is a Warfarin analog with anticoagulant activity[1].
CAS Number
17834-03-6
Product Name Alternative
Warfarin RC15
UNSPSC
12352005
Hazard Statement
H302, H318
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/7-hydroxywarfarin.html
Purity
99.76
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C1C(C(C2=CC=CC=C2)CC(C)=O)=C(O)C3=CC=C(O)C=C3O1
Molecular Formula
C19H16O5
Molecular Weight
324.33
Precautions
H302, H318
References & Citations
[1]Obaseki AO, Coker HB. The anticoagulant activity of some selected warfarin analogues. J Pharm Pharmacol. 1987 Feb;39 (2) :142-4.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-Hydroxywarfarin

7-Hydroxywarfarin is a hydroxycoumarin.

CAS Number17834-03-6
PubChem CID54682507
IUPAC Name4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
Molecular FormulaC19H16O5
Molecular Weight324.3
XLogP2.3
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity532
SMILES
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)O
InChI
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
Chemical Structure
2D Structure
2D structure of 7-Hydroxywarfarin
CAS: 17834-03-6
CID: 54682507
Formula: C19H16O5
MW: 324.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight324.3
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass324.09977361
Monoisotopic Mass324.09977361
Topological Polar Surface Area83.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes