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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > ammonium ion derivative > rolapitant(1+)
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > rolapitant(1+)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > rolapitant(1+)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > rolapitant(1+)
... > chemical entity > molecular entity > ion > cation > organic cation > rolapitant(1+)
... > chemical entity > molecular entity > ion > organic ion > organic cation > rolapitant(1+)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > rolapitant(1+)

Preferred term

rolapitant(1+)  

Type

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

Broader concept

charge

  • +1

formula

  • C25H27F6N2O2

inchi

  • InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/p+1/t16-,22-,23-/m1/s1

inchikey

  • FIVSJYGQAIEMOC-ZGNKEGEESA-O

is_conjugate_acid_of

mass

  • 501.485

monoisotopicmass

  • 501.19712

smiles

  • C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)[C@H](OC[C@@]2([NH2+]C[C@]3(CC2)CCC(N3)=O)C4=CC=CC=C4)C

subset

  • 3_STAR

synonym EXACT

  • (5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-2-oxo-8-phenyl-1,7-diazaspiro[4.5]decan-7-ium

synonym RELATED

  • rolapitant cation

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:90913

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