Chemical Compound

Rilzabrutinib

CAS Registry Number1575596-29-0
Rilzabrutinib chemical structure
Primary record

Rilzabrutinib

CAS
1575596-29-0
PubChem CID
73388818
SMILES
CC(C)(/C=C(\C#N)/C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N)N6CCN(CC6)C7COC7
Molecular Formula
C36H40FN9O3
Molecular Weight
665.774
Exact Mass
665.3238
InChI
InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m1/s1
InChIKey
LCFFREMLXLZNHE-GBOLQPHISA-N
LogP
4.4154
TPSA
138.66

Names and synonyms

  • Rilzabrutinib
  • PRN1008
  • Wayrilz
  • Rilzabrutinib [INN]
  • Rilzabrutinib [USAN]
  • Wayrilz (TN)
  • Rilzabrutinib, (E)-
  • 1575596-29-0
  • PRN-1008
  • RefChem:883642
  • NWN58M4F5T
  • UNII-NWN58M4F5T
  • Rilzabrutinib [USAN:INN]
  • 5G1WE425BI
  • Rilzabrutinib (PRN1008)
  • UNII-5G1WE425BI
  • GTPL9993
  • orb1309216
  • CHEMBL3702854
  • Rilzabrutinib (JAN/USAN/INN)
  • SCHEMBL29368877
  • SCHEMBL29564512
  • C36H40FN9O3
  • Rilzabrutinib, (.alpha.e,3s)-
  • BDBM143212
  • PRN1008, (E)-
  • EX-A4524
  • PRN 1008
  • PRN-1008, (E)-
  • BDBM50557485