UPADACITINIB TARTRATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7KCW9IQM02

Structure
InChI Key LATZVDXOTDYECD-UFTFXDLESA-N
Smile CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12.O.O.O.O.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C17H19F3N6O.C4H6O6.4H2O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15;5-1(3(7)8)2(6)4(9)10;;;;/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27);1-2,5-6H,(H,7,8)(H,9,10);4*1H2/t10-,11+;;;;;/m1...../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H33F3N6O11
Molecular Weight 602.52
AlogP 2.91
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 78.32
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Cross References

Resources Reference
ChEMBL CHEMBL3707269
FDA SRS 7KCW9IQM02
PubChem 127263217
SureChEMBL SCHEMBL18740352
CONTENTS