Serlopitant

CAS Registry Number®

860642-69-9
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CAS Name

Serlopitant

Molecular Formula

C29H28F7NO2

Molecular Mass

555.53

Cite this Page

Serlopitant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=860642-69-9 (retrieved 2024-04-19) (CAS RN: 860642-69-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    216.5-217.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1

InChIKey

InChIKey=FLNYCRJBCNNHRH-OIYLJQICSA-N

SMILES

O([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@H]([C@]3([C@@](CN(C3)C4=CC(=O)CC4)(CC2)[H])[H])C5=CC=C(F)C=C5

Canonical SMILES

O=C1C=C(N2CC3CCC(OC(C=4C=C(C=C(C4)C(F)(F)F)C(F)(F)F)C)C(C5=CC=C(F)C=C5)C3C2)CC1

Other Names for this Substance

  • 2-Cyclopenten-1-one, 3-[(3aR,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)octahydro-2H-isoindol-2-yl]-
  • 3-[(3aR,4R,5S,7aS)-5-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)octahydro-2H-isoindol-2-yl]-2-cyclopenten-1-one
  • Serlopitant
  • VPD737

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