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Substance Name: Ceritinib [USAN:INN]
RN: 1032900-25-6
UNII: K418KG2GET
InChIKey: VERWOWGGCGHDQE-UHFFFAOYSA-N

Note

  • An anaplastic lymphoma kinase inhibitor.

Molecular Weight

  • 558.1434
 

Classification Codes

  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Protein Kinase Inhibitors
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Names and Synonyms

Name of Substance

  • Ceritinib [USAN:INN]

Synonyms

  • Ceritinib
  • LDK 378
  • LDK-378
  • LDK378
  • NVP-LDK378-NX
  • UNII-K418KG2GET
  • Zykadia

Systematic Names

  • 2,4-Pyrimidinediamine, 5-chloro-N4-(2-((1-methylethyl)sulfonyl)phenyl)-N2-(5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl)-
  • 5-Chloro-N2-(5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl)-N4-(2-(propane-2-sulfonyl)phenyl)pyrimidine-2,4-diamine

Registry Numbers

CAS Registry Number

  • 1032900-25-6

FDA UNII

  • K418KG2GET

Other Registry Number

  • 1431456-10-8

System Generated Number

  • 1032900256

Structure Descriptors

InChI

1S/C28H36ClN5O3S/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)

InChIKey

VERWOWGGCGHDQE-UHFFFAOYSA-N

Smiles

Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl