Chemical Compound

Umbralisib

CAS Registry Number1532533-67-7
Umbralisib chemical structure
Primary record

Umbralisib

CAS
1532533-67-7
PubChem CID
72950888
SMILES
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
Molecular Formula
C31H24F3N5O3
Molecular Weight
571.559
Exact Mass
571.1831
InChI
InChI=1S/C31H24F3N5O3/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/h4-16H,1-3H3,(H2,35,36,37)/t16-/m0/s1
InChIKey
IUVCFHHAEHNCFT-INIZCTEOSA-N
LogP
6.6627
TPSA
109.06

Names and synonyms

  • Umbralisib
  • rp-5264
  • TGR-1202
  • Ukoniq
  • 1532533-67-7
  • umbralisibum
  • Umbralisib [USAN]
  • TGR-1202 free base
  • Umbralisib tosylate
  • TGR-1202 base
  • TGR1202
  • RefChem:58319
  • TGR 1202
  • UMBRALISIB [INN]
  • Umbralisib (USAN/INN)
  • 38073MQB2A
  • RP5264
  • UNII-38073MQB2A
  • umbralisib (TGR-1202)
  • UMBRALISIB [WHO-DD]
  • MFCD28386165
  • TGR 1202 [WHO-DD]
  • DTXSID601337137
  • GTPL8916
  • orb1302401
  • CHEMBL3948730
  • SCHEMBL15557416
  • SCHEMBL29354189
  • SCHEMBL29358460
  • SCHEMBL29454795