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Substance Name: Ceritinib dihydrochloride
RN: 1380575-43-8
UNII: 08381UU98P
InChIKey: WNCJOPLFICTLPT-UHFFFAOYSA-N

Molecular Formula

  • C28-H36-Cl-N5-O3-S.2Cl-H

Molecular Weight

  • 631.057
 
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Names and Synonyms

Name of Substance

  • Ceritinib dihydrochloride

Synonyms

  • 2,4-Pyrimidinediamine, 5-chloro-N4-(2-((1-methylethyl)sulfonyl)phenyl)-N2-(5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl)-, hydrochloride (1:2)
  • Ceritinib dihydrochloride
  • LDK-378 hydrochloride
  • UNII-08381UU98P

Registry Numbers

CAS Registry Number

  • 1380575-43-8

FDA UNII

  • 08381UU98P

System Generated Number

  • 1380575438

Structure Descriptors

InChI

1S/C28H36ClN5O3S.2ClH/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4;;/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34);2*1H

InChIKey

WNCJOPLFICTLPT-UHFFFAOYSA-N

Smiles

Cl.Cl.CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3