Chemical Compound

Lifitegrast

CAS Registry Number1025967-78-5
Lifitegrast chemical structure
Primary record

Lifitegrast

CAS
1025967-78-5
PubChem CID
11965427
SMILES
CS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)Cl
Molecular Formula
C29H24Cl2N2O7S
Molecular Weight
615.491
Exact Mass
614.0681
InChI
InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1
InChIKey
JFOZKMSJYSPYLN-QHCPKHFHSA-N
LogP
4.7673
TPSA
133.99

Names and synonyms

  • Lifitegrast
  • Xiidra
  • 1025967-78-5
  • lifitegrastum
  • SAR-1118
  • SAR 1118
  • Xiidra (TN)
  • SHP606
  • Lifitegrast (Standard)
  • Lifitegrast [USAN:INN]
  • RefChem:57036
  • LIFITEGRAST [MI]
  • SHP-606
  • LIFITEGRAST [INN]
  • Lifitegrast (USAN/INN)
  • LIFITEGRAST [USAN]
  • C29H24Cl2N2O7S
  • D04ISS
  • D0Q9EV
  • Lifitegrast(SAR 1118)
  • Lifitegrast; SAR 1118
  • CHEMBL2048028
  • LIFITEGRAST [WHO-DD]
  • UNII-038E5L962W
  • CHEBI:133023
  • DTXSID60145345
  • Lifitegrast ophthalmic solution
  • MFCD28502439
  • GTPL7533
  • orb1303486