Chemical Compound

Ensartinib hydrochloride

CAS Registry Number2137030-98-7
Ensartinib hydrochloride chemical structure
Primary record

Ensartinib hydrochloride

CAS
2137030-98-7
PubChem CID
132190581
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.Cl
Molecular Formula
C26H28Cl3FN6O3
Molecular Weight
597.906
Exact Mass
596.1273
InChI
InChI=1S/C26H27Cl2FN6O3.ClH/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);1H/t13-,14+,15-;/m1./s1
InChIKey
KFBKQZJZVWWQKO-USAYTKQKSA-N
LogP
5.1412
TPSA
122.47

Names and synonyms

  • Ensartinib hydrochloride
  • ENSARTINIB 2HCL
  • C26H28Cl3FN6O3
  • SCHEMBL19667950
  • SCHEMBL30887834
  • MFCD31657344
  • 2137030-98-7
  • 6-Amino-5-((R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-N-(4-((3S,5R)-3,5-dimethylpiperazine-1-carbonyl)phenyl)pyridazine-3-carboxamide hydrochloride
  • 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;hydrochloride