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(R) -Sulindac-d6

CAT: 0804-HY-W742803-01Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W742803-01Size:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R) -Sulindac-d6 is the deuterium labeled (R) -Sulindac.
CAS Number
2714166-73-9
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
O=S(C1=CC=C(/C([2H])=C2C(C)=C(C3=CC(F)=CC=C3/2)C([2H])(C(O)=O)[2H])C=C1)C([2H])([2H])[2H]
Molecular Formula
C20H11D6FO3S
Molecular Weight
362.45
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Sulindac-d6
CAS Number2714166-73-9
PubChem CID76974798
IUPAC Name2,2-dideuterio-2-[(3Z)-3-[deuterio-[4-(trideuteriomethylsulfinyl)phenyl]methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid
Molecular FormulaC20H17FO3S
Molecular Weight362.4
XLogP3.4
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity616
SMILES
[2H]/C(=C/1\C(=C(C2=C1C=CC(=C2)F)C([2H])([2H])C(=O)O)C)/C3=CC=C(C=C3)S(=O)C([2H])([2H])[2H]
InChI
InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/i2D3,9D,11D2
InChIKey
MLKXDPUZXIRXEP-NUJVTHJYSA-N
Chemical Structure
2D Structure
2D structure of Sulindac-d6
CAS: 2714166-73-9
CID: 76974798
Formula: C20H17FO3S
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass362.12590421
Monoisotopic Mass362.12590421
Topological Polar Surface Area73.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity616
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-S699217-25MGSulindac-d6
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TRC-S699222-25MGSulindac Sulfide-d6 (Major)
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