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Warfarin-D5

CAT: 1134-ESS0352-01Size: 10 mgDry Ice: NoHazardous: Yes
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CAT#:1134-ESS0352-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
75472-93-4
GHS Codes
GHS06, GHS08, GHS09
P Phrases
P201, P202, P260, P273, P264, P280
Structure Composition
C 72.83% H 3.54% O 20.42% D 3.21%
UN Code
2814
H Phrases
H300, H312, H372, H402, H412
UDF Signal Word
Danger
Hazard Statement
6.1
Applications
Labelled analog of Warfarin
Molecular Formula
C19H11O4D5
Molecular Weight
313.36712
Packaging Group
1
Shipping Conditions
Room temerature
Storage Conditions
Freezer @ -20ºC
Hazardous Class
6.1

Chemical Information

4-Hydroxy-3-(3-oxo-1-(~2~H_5_)phenylbutyl)-2H-1-benzopyran-2-one
CAS Number75472-93-4
PubChem CID54727559
IUPAC Name4-hydroxy-3-[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(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/i2D,3D,4D,7D,8D
InChIKey
PJVWKTKQMONHTI-ATTUOBAHSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-3-(3-oxo-1-(~2~H_5_)phenylbutyl)-2H-1-benzopyran-2-one
CAS: 75472-93-4
CID: 54727559
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-220389BWarfarin-d5
TMIH-0471-01R- (+) -Warfarin-d5
TRC-W498492-50MGR-(+)-Warfarin-d5
AR-W01038-01(S) -Warfarin-d5
CS-O-03020S- (-) -Warfarin-d5
TRC-W498497-1MGS-(-)-Warfarin-d5
WDC60643-01Dehydro warfarin-d5
HY-W015998S(R) - (+) -Warfarin-d5
AR-W01010-01(R) -Warfarin-d5
TRC-H996122-100MG6-Hydroxy Warfarin-d5

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