itacitinib adipate (Q27294071)

UNII-XZG407XE0Y (English)

14 October 2016

chemical formula

C₃₂H₃₃F₄N₉O₅

1 reference

UNII-XZG407XE0Y (English)

14 October 2016

canonical SMILES

C1CN(CCC1N2CC(C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4)C(=O)C6=C(C(=NC=C6)C(F)(F)F)F.C(CCC(=O)O)CC(=O)O

1 reference

UNII-XZG407XE0Y (English)

InChI=1S/C26H23F4N9O.C6H10O4/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21;7-5(8)3-1-2-4-6(9)10/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35);1-4H2,(H,7,8)(H,9,10)

14 October 2016

Identifiers

InChI

1 reference

UNII-XZG407XE0Y (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-XZG407XE0Y (English)

14 October 2016

1 reference

UNII

XZG407XE0Y

itacitinib adipate (English)

14 October 2016

1 reference

Itacitinib adipate (English)

14 October 2016

2 references

UNII-XZG407XE0Y (English)

matched by identifier from

14 October 2016

1 reference

matched by identifier from

CHEMBL3707409 (English)

14 October 2016

2 references

inferred from InChIKey

Global Substance Registration System

1 reference

2 references

UNII

XZG407XE0Y

itacitinib adipate (English)

matched by identifier from

14 October 2016