Chemical Compound

ensartinib

CAS Registry Number1370651-20-9
ensartinib chemical structure
Primary record

ensartinib

CAS
1370651-20-9
PubChem CID
56960363
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C(=O)C2=CC=C(C=C2)NC(=O)C3=NN=C(C(=C3)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl)N
Molecular Formula
C26H27Cl2FN6O3
Molecular Weight
561.445
Exact Mass
560.1506
InChI
InChI=1S/C26H27Cl2FN6O3/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36)/t13-,14+,15-/m1/s1
InChIKey
GLYMPHUVMRFTFV-QLFBSQMISA-N
LogP
4.7194
TPSA
122.47

Names and synonyms

  • ensartinib
  • ensartinibum
  • Ensartinib [INN]
  • Ensartinib (X-396)
  • Ensartinib (USAN)
  • 1370651-20-9
  • C26H27Cl2FN6O3
  • Ensartinib; X-396
  • X-396(Ensartinib)
  • SMA5ZS5B22
  • Ensartinib [USAN:INN]
  • RefChem:136992
  • ENSARTINIB [USAN]
  • UNII-SMA5ZS5B22
  • ENSARTINIB [WHO-DD]
  • orb1692764
  • orb3033026
  • CHEMBL4113131
  • SCHEMBL15131489
  • SCHEMBL29358463
  • SCHEMBL29489149
  • SCHEMBL29716660
  • X396
  • BDBM179297
  • GLXC-15836
  • X-396
  • BCP26265
  • EX-A2941
  • NSC793150
  • s8230