API0232920

Umbralisib Tosylate

Umbralisib Tosylate is a PI3Kδ inhibitor used for lymphoma.

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Molecular Weight (g/mol)

743.8
Molecular Formula

C38H32F3N5O6S
InChI

InChI=1S/C31H24F3N5O3.C7H8O3S/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29;1-6-2-4-7(5-3-6)11(8,9)10/h4-16H,1-3H3,(H2,35,36,37);2-5H,1H3,(H,8,9,10)/t16-;/m0./s1
InChIKey

KYJWUPZPSXZEPG-NTISSMGPSA-N
SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C[C@@H](C1=C(C(=O)C2=C(O1)C=CC(=C2)F)C3=CC(=CC=C3)F)N4C5=NC=NC(=C5C(=N4)C6=CC(=C(C=C6)OC(C)C)F)N
IUPAC Name

2-[(1S)-1-[4-amino-3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-fluoro-3-(3-fluorophenyl)chromen-4-one;4-methylbenzenesulfonic acid
Exact Mass (Da)

743.20253942
Monoisotopic Mass (Da)

743.20253942

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