CAS Registry Number®
1032900-25-6
CAS Name
Ceritinib
Molecular Formula
C28H36ClN5O3S
Molecular Mass
558.14
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
