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(R) - (+) -Warfarin-d5

CAT: 0804-HY-W015998SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W015998SSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R) - (+) -Warfarin-d5 is deuterium labeled (R) - (+) -Warfarin.
CAS Number
773005-79-1
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99.23
Solubility
10 mM in DMSO
Smiles
CC(C[C@H](C1=C([2H])C([2H])=C([2H])C([2H])=C1[2H])C2=C(C3=CC=CC=C3OC2=O)O)=O
Molecular Formula
C19H11D5O4
Molecular Weight
313.36
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

R-(+)-Warfarin-d5
CAS Number773005-79-1
PubChem CID75125732
IUPAC Name4-hydroxy-3-[(1R)-3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one
Molecular FormulaC19H16O4
Molecular Weight313.4
XLogP2.7
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity501
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])[C@@H](CC(=O)C)C2=C(C3=CC=CC=C3OC2=O)O)[2H])[2H]
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/t15-/m1/s1/i2D,3D,4D,7D,8D
InChIKey
PJVWKTKQMONHTI-VLGPFOJQSA-N
Chemical Structure
2D Structure
2D structure of R-(+)-Warfarin-d5
CAS: 773005-79-1
CID: 75125732
Formula: C19H16O4
MW: 313.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass313.13624272
Monoisotopic Mass313.13624272
Topological Polar Surface Area63.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity501
Isotope Atom Count5
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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