Chemical Compound

Tesevatinib tosylate

CAS Registry Number1000599-06-3
Tesevatinib tosylate chemical structure
Primary record

Tesevatinib tosylate

CAS
1000599-06-3
PubChem CID
71301378
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1C[C@H]2CC(C[C@H]2C1)COC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Cl)Cl)F)OC
Molecular Formula
C31H33Cl2FN4O5S
Molecular Weight
663.599
Exact Mass
662.1533
InChI
InChI=1S/C24H25Cl2FN4O2.C7H8O3S/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30);2-5H,1H3,(H,8,9,10)/t13?,14-,15+;
InChIKey
GQLLAIBEWDUUBQ-XZPOUAKSSA-N
LogP
7.0362
TPSA
113.88

Names and synonyms

  • Tesevatinib tosylate
  • Xl-647 tosylate
  • Tesevatinib tosilate
  • Tesevatinib (tosylate)
  • Tesevatinib tosylate [USAN]
  • KD-019 TOSYLATE
  • KD-020 TOSYLATE
  • UNII-GKB6T21I50
  • GKB6T21I50
  • XL 647 p-toluenesulfonate
  • Tesevatinib tosylate (USAN)
  • XL647 4-methylbenzenesulfonate
  • orb2802105
  • CHEMBL3544982
  • SCHEMBL29786075
  • 1000599-06-3
  • BCP24791
  • MFCD28137678
  • TESEVATINIB TOSILATE [WHO-DD]
  • CS-0028559
  • D11773
  • A897630
  • Q27279137
  • 4-Quinazolinamine, N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-(((3aR,6aS)-octahydro-2-methylcyclopenta(c)pyrrol-5-yl)methoxy)-, 4-methylbenzenesulfonate (1:1)
  • 4-Quinazolinamine, N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-(((3aR,6aS)-octahydro-2-methylcyclopenta(c)pyrrol-5-yl)methoxy)-, 4-methylbenzenesulphonate (1:1)
  • 7-[[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine;4-methylbenzenesulfonic acid
  • rel-N-(3,4-Dichloro-2-fluorophenyl)-6-methoxy-7-(((3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl)methoxy)quinazolin-4-amine 4-methylbenzenesulfonate