Casopitant mesylate

CAS Registry Number®

414910-30-8

CAS Name

Casopitant mesylate

Molecular Formula

C30H35F7N4O2.CH4O3S

Cite this Page

Casopitant mesylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=414910-30-8 (retrieved 2024-11-22) (CAS RN: 414910-30-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H35F7N4O2.CH4O3S/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;1-5(2,3)4/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3;1H3,(H,2,3,4)/t19-,25+,27-;/m1./s1

InChIKey

InChIKey=YRFKYVWDPCOSTE-REWBLLDVSA-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.S(C)(=O)(=O)O

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.O=S(=O)(O)C

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)-, methanesulfonate (1:1)
  • 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)-, monomethanesulfonate
  • 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 methanesulfonate
  • GW 679769B
  • Casopitant mesylate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration