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Sorafenib 13C D3

ISO 17034:
Catalog Number : CS-O-06977
CAS Number : 1210608-86-8
Status : Available for immediate dispatch
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Chemical Information

Chemical Name : Sorafenib 13C D3
Category : Isotope Labelled Compounds
Purity : Not less than 90%
Synonyms : Not available
Molecular Weight : 468.84 mol/g
Molecular Formula : C₂₀¹³CH₁₃D₃ClF₃N₄O₃
Application : "Labeled Sorafenib, intended for use as an internal standard for the quantification of Sorafenib by GC- or LC-mass spectrometry."
Therapeutic : Anti-Cancer / Oncology

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Hazardous Compound : Yes

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Additional Information

Sorafenib (co-developed and co-marketed by Bayer and Onyx Pharmaceuticals as Nexavar), is a kinase inhibitor drug approved for the treatment of primary kidney cancer (advanced renal cell carcinoma), advanced primary liver cancer (hepatocellular carcinoma), FLT3-ITD positive AML and radioactive iodine resistant advanced thyroid carcinoma.

References : "Richly; H,; et al,: Int, J, Clin, Pharmacol, Ther,; 41; 620 (2003); Khire; U,R,; et al,: Bioorg, Med, Chem, Lett,; 14; 783 (2004); Wilhelm; S,M,; et al,: Cancer Res,; 64; 7099 (2004); Rini; B,I,; et al,: Expert Opin, Pharmacother,; 7; 453 (2006);"
Canonical SMILES : CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
Isomeric SMILES : [2H][13C]([2H])([2H])NC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
InChI : InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i1+1D3
InchIKey : MLDQJTXFUGDVEO-KQORAOOSSA-N
IUPAC Name : 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuterio(113C)methyl)pyridine-2-carboxamide
Exact Mass : 468.1084876