API0231721

Sorafenib Tosylate

Sonidegib Phosphate is a Hedgehog pathway inhibitor used for basal cell carcinoma.

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Molecular Weight (g/mol)

637
Molecular Formula

C28H24ClF3N4O6S
InChI

InChI=1S/C21H16ClF3N4O3.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3,(H,26,30)(H2,28,29,31);2-5H,1H3,(H,8,9,10)
InChIKey

IVDHYUQIDRJSTI-UHFFFAOYSA-N
SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
IUPAC Name

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-methylbenzenesulfonic acid
Exact Mass (Da)

636.1057179
Monoisotopic Mass (Da)

636.1057179

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