Setastine

CAS Registry Number®

64294-95-7

CAS Name

Setastine

Molecular Formula

C22H28ClNO

Molecular Mass

357.92

Cite this Page

Setastine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64294-95-7 (retrieved 2024-11-21) (CAS RN: 64294-95-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28ClNO/c1-22(19-9-5-4-6-10-19,20-11-13-21(23)14-12-20)25-18-17-24-15-7-2-3-8-16-24/h4-6,9-14H,2-3,7-8,15-18H2,1H3

InChIKey

InChIKey=VBSPHZOBAOWFCL-UHFFFAOYSA-N

SMILES

C(OCCN1CCCCCC1)(C)(C2=CC=C(Cl)C=C2)C3=CC=CC=C3

Canonical SMILES

ClC1=CC=C(C=C1)C(OCCN2CCCCCC2)(C=3C=CC=CC3)C

Other Names for this Substance

  • 1H-Azepine, 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]hexahydro-
  • 1-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]hexahydro-1H-azepine
  • Setastine
  • 1-(2-(1-(4-Chlorophenyl)-1-phenylethoxy)ethyl)azepane

CAS INSIGHTSTM
Targeted protein degrader structure, illustration