Setipiprant

CAS Registry Number®

866460-33-5

CAS Name

Setipiprant

Molecular Formula

C24H19FN2O3

Molecular Mass

402.42

Cite this Page

Setipiprant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=866460-33-5 (retrieved 2024-11-24) (CAS RN: 866460-33-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    224 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)

InChIKey

InChIKey=IHAXLPDVOWLUOS-UHFFFAOYSA-N

SMILES

C(C(O)=O)N1C2=C(C=3C1=CC=C(F)C3)CN(C(=O)C=4C5=C(C=CC4)C=CC=C5)CC2

Canonical SMILES

O=C(O)CN1C=2C=CC(F)=CC2C3=C1CCN(C(=O)C4=CC=CC=5C=CC=CC54)C3

Other Names for this Substance

  • 5H-Pyrido[4,3-b]indole-5-acetic acid, 8-fluoro-1,2,3,4-tetrahydro-2-(1-naphthalenylcarbonyl)-
  • 8-Fluoro-1,2,3,4-tetrahydro-2-(1-naphthalenylcarbonyl)-5H-pyrido[4,3-b]indole-5-acetic acid
  • Setipiprant
  • ACT 129968
  • 2-(2-(1-Naphthoyl)-8-fluoro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid

Deleted or Replaced CAS Registry Numbers

1263765-62-3

CAS INSIGHTSTM
Hourglass and a clock