Ceritinib

CAS Registry Number®

1032900-25-6
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CAS Name

Ceritinib

Molecular Formula

C28H36ClN5O3S

Molecular Mass

558.14

Cite this Page

Ceritinib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1032900-25-6 (retrieved 2024-04-26) (CAS RN: 1032900-25-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=VERWOWGGCGHDQE-UHFFFAOYSA-N

SMILES

N(C1=C(OC(C)C)C=C(C(C)=C1)C2CCNCC2)C=3N=C(NC4=C(S(C(C)C)(=O)=O)C=CC=C4)C(Cl)=CN3

Canonical SMILES

O=S(=O)(C=1C=CC=CC1NC2=NC(=NC=C2Cl)NC=3C=C(C(=CC3OC(C)C)C4CCNCC4)C)C(C)C

Other Names for this Substance

  • 2,4-Pyrimidinediamine, 5-chloro-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-N2-[5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl]-
  • 5-Chloro-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-N2-[5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl]-2,4-pyrimidinediamine
  • LDK 378
  • Ceritinib
  • Zykadia

Deleted or Replaced CAS Registry Numbers

1431456-10-8

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