Casopitant

CAS Registry Number®

414910-27-3

CAS Name

Casopitant

Molecular Formula

C30H35F7N4O2

Molecular Mass

616.61

Cite this Page

Casopitant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=414910-27-3 (retrieved 2024-11-22) (CAS RN: 414910-27-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1

InChIKey

InChIKey=XGGTZCKQRWXCHW-WMTVXVAQSA-N

SMILES

C(N([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C)(=O)N2[C@H](C[C@H](CC2)N3CCN(C(C)=O)CC3)C4=C(C)C=C(F)C=C4

Canonical SMILES

O=C(N(C)C(C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)C)N2CCC(N3CCN(C(=O)C)CC3)CC2C4=CC=C(F)C=C4C

Other Names for this Substance

  • 1-Piperidinecarboxamide, 4-(4-acetyl-1-piperazinyl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-, (2R,4S)-
  • (2R,4S)-4-(4-Acetyl-1-piperazinyl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperidinecarboxamide
  • 4-(S)-(4-Acetylpiperazin-1-yl)-2-(R)-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid N-[1-(R)-(3,5-bis-trifluoromethylphenyl)ethyl]-N-methylamide
  • Casopitant

CAS INSIGHTSTM
Targeted protein degrader structure, illustration