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Concept information

Preferred term

netupitant  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C30H32F6N4O

has_role

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

  • WAXQNWCZJDTGBU-UHFFFAOYSA-N

mass

  • 578.59170

monoisotopicmass

  • 578.24803

smiles

  • CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCN(C)CC1

subset

  • 3_STAR

synonym EXACT

  • 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:85155

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