Tradipitant

CAS Registry Number®

622370-35-8
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CAS Name

Tradipitant

Molecular Formula

C28H16ClF6N5O

Molecular Mass

587.90

Cite this Page

Tradipitant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=622370-35-8 (retrieved 2024-04-19) (CAS RN: 622370-35-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2

InChIKey

InChIKey=CAVRKWRKTNINFF-UHFFFAOYSA-N

SMILES

C(N1C(=C(N=N1)C2=C(C(=O)C3=C(Cl)C=CC=C3)C=CC=N2)C=4C=CN=CC4)C5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5

Canonical SMILES

O=C(C=1C=CC=CC1Cl)C2=CC=CN=C2C=3N=NN(C3C=4C=CN=CC4)CC=5C=C(C=C(C5)C(F)(F)F)C(F)(F)F

Other Names for this Substance

  • Methanone, [2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]-3-pyridinyl](2-chlorophenyl)-
  • [2-[1-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-5-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]-3-pyridinyl](2-chlorophenyl)methanone
  • Tradipitant
  • VLY 686
  • [2-[1-[3,5-Bis(trifluoromethyl)benzyl]-5-(pyridin-4-yl)-1H-[1,2,3]triazol-4-yl]pyridin-3-yl](2-chlorophenyl)methanone

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