Ezlopitant

CAS Registry Number®

147116-64-1

CAS Name

Ezlopitant

Molecular Formula

C31H38N2O

Molecular Mass

454.65

Cite this Page

Ezlopitant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=147116-64-1 (retrieved 2024-11-22) (CAS RN: 147116-64-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1

InChIKey

InChIKey=XPNMCDYOYIKVGB-CONSDPRKSA-N

SMILES

C([C@H]1[C@@H](NCC2=C(OC)C=CC(C(C)C)=C2)C3CCN1CC3)(C4=CC=CC=C4)C5=CC=CC=C5

Canonical SMILES

O(C1=CC=C(C=C1CNC2C(N3CCC2CC3)C(C=4C=CC=CC4)C=5C=CC=CC5)C(C)C)C

Other Names for this Substance

  • 1-Azabicyclo[2.2.2]octan-3-amine, 2-(diphenylmethyl)-N-[[2-methoxy-5-(1-methylethyl)phenyl]methyl]-, (2S,3S)-
  • 1-Azabicyclo[2.2.2]octan-3-amine, 2-(diphenylmethyl)-N-[[2-methoxy-5-(1-methylethyl)phenyl]methyl]-, (2S-cis)-
  • (2S,3S)-2-(Diphenylmethyl)-N-[[2-methoxy-5-(1-methylethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
  • CJ 11974
  • Ezlopitant

CAS INSIGHTSTM
Targeted protein degrader structure, illustration