Netupitant

CAS Registry Number®

290297-26-6

CAS Name

Netupitant

Molecular Formula

C30H32F6N4O

Molecular Mass

578.59

Cite this Page

Netupitant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=290297-26-6 (retrieved 2024-11-22) (CAS RN: 290297-26-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    156.2-160.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3

InChIKey

InChIKey=WAXQNWCZJDTGBU-UHFFFAOYSA-N

SMILES

N(C(C(C)(C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=O)(C)C=2C(=CC(=NC2)N3CCN(C)CC3)C4=C(C)C=CC=C4

Canonical SMILES

O=C(N(C1=CN=C(C=C1C=2C=CC=CC2C)N3CCN(C)CC3)C)C(C=4C=C(C=C(C4)C(F)(F)F)C(F)(F)F)(C)C

Other Names for this Substance

  • Benzeneacetamide, N,α,α-trimethyl-N-[4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-
  • N,α,α-Trimethyl-N-[4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)benzeneacetamide
  • Netupitant
  • Ro 67-31898/000
  • 2-[3,5-Bis(trifluoromethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-4-o-tolylpyridin-3-yl]-N-methylisobutyramide

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration