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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 > organonitrogen compound > organonitrogen heterocyclic compound > piperidines > n-methylparoxetine
organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > n-methylparoxetine
organic heterocyclic compound > organic heteromonocyclic compound > piperidines > n-methylparoxetine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > n-methylparoxetine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > n-methylparoxetine
organic aromatic compound > aromatic ether > n-methylparoxetine
organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > n-methylparoxetine
organofluorine compound > fluorobenzenes > monofluorobenzenes > n-methylparoxetine

Preferred term

n-methylparoxetine  

Type

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

Broader concept

charge

  • 0

formula

  • C20H22FNO3

has_functional_parent

has_role

inchi

  • InChI=1S/C20H22FNO3/c1-22-9-8-18(14-2-4-16(21)5-3-14)15(11-22)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18H,8-9,11-13H2,1H3/t15-,18-/m0/s1

inchikey

  • MOJZPKOBKCXNKG-YJBOKZPZSA-N

mass

  • 343.398

monoisotopicmass

  • 343.15837

smiles

  • C=1(OC[C@H]2[C@](C=3C=CC(=CC3)F)(CCN(C2)C)[H])C=C4C(OCO4)=CC1

subset

  • 3_STAR

synonym EXACT

  • (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine

synonym RELATED

  • (3S,4R)-N-methylparoxetine
  • (3S-trans)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine
  • paroxetine related compound F
  • trans-(-)-N-methylparoxetine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94536

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