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Chemical structure of Regorafenib-13C-d3

GC40213

Regorafenib-13C-d3

Also known as 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-(trideuterio(113C)methyl)pyridine-2-carboxamide

Regorafenib-13C-d3 is intended for use as an internal standard for the quantification of regorafenib by GC- or LC-MS

ChemicalCAS2126178-55-8MW486.8FormulaC20[13C]H12D3ClF4N4O3
CAS number
2126178-55-8
Molecular weight
486.8
Formula
C20[13C]H12D3ClF4N4O3
Solubility
DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 14 mg/ml
InChIKey
FNHKPVJBJVTLMP-KQORAOOSSA-N
Catalogue number
GC40213
Brand
GLPBIO
Computed properties PubChem CID 76974621 · XLogP 4.2 · TPSA 92.4 Ų · H-bond donors 3
XLogP
4.2
TPSA
92.4 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33

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)F

Computed descriptors from PubChem (CID 76974621), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Pricing
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Documents
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