Analytenname

3-Hydroxy Ibrutinib

Molekularformel

C25 H24 N6 O3

Molekulargewicht

456.497

Genaue Masse

456.191

SMILES

Nc1ncnc2c1c(nn2[C@@H]3CCCN(C3)C(=O)\C=C\O)c4ccc(Oc5ccccc5)cc4

InChI

InChI=1S/C25H24N6O3/c26-24-22-23(17-8-10-20(11-9-17)34-19-6-2-1-3-7-19)29-31(25(22)28-16-27-24)18-5-4-13-30(15-18)21(33)12-14-32/h1-3,6-12,14,16,18,32H,4-5,13,15H2,(H2,26,27,28)/b14-12+/t18-/m1/s1

IUPAC

(E)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-hydroxyprop-2-en-1-one

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produktformat

Neat