Chemical Compound

Selitrectinib

CAS Registry Number2097002-61-2
Selitrectinib chemical structure
Primary record

Selitrectinib

CAS
2097002-61-2
PubChem CID
129103609
SMILES
C[C@@H]1CCC2=C(C=C(C=N2)F)[C@H]3CCCN3C4=NC5=C(C=NN5C=C4)C(=O)N1
Molecular Formula
C20H21FN6O
Molecular Weight
380.427
Exact Mass
380.1761
InChI
InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1
InChIKey
OEBIHOVSAMBXIB-SJKOYZFVSA-N
LogP
2.6694
TPSA
75.42

Names and synonyms

  • Selitrectinib
  • LOXO-195
  • selitrectinibum
  • 2097002-61-2
  • LOXO195
  • SelitrectinibLOXO-195
  • LOXO 195(Selitrectinib)
  • Selitrectinib (Standard)
  • RefChem:182327
  • 2-Cyano-3-methylpyridine
  • Selitrectinib (LOXO-195)
  • SELITRECTINIB [INN]
  • Selitrectinib(LOXO-195)
  • LOXO 195
  • LOXO-195 (S racemic)
  • TRK Inhibitor LOXO-195
  • UNII-0J45910S3X
  • SELITRECTINIB [WHO-DD]
  • C20H21FN6O
  • orb1299822
  • 0J45910S3X
  • CHEMBL4297627
  • SCHEMBL18823882
  • SCHEMBL29673979
  • GTPL10314
  • MFCD31620755
  • EX-A1873
  • BAY 2731954
  • BDBM50507492
  • NSC809970