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Chemistry, part 1

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Concept information

... > 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 > tertiary amine > almotriptan
... > 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 > tertiary amine > almotriptan
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > amine > tertiary amine > almotriptan
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > amine > tertiary amine > almotriptan
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > almotriptan
organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > almotriptan
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > almotriptan
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfonamide > almotriptan
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > almotriptan
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > almotriptan
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > almotriptan

Preferred term

almotriptan  

Type

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

Broader concept

charge

  • 0

formula

  • C17H25N3O2S

has_role

inchi

  • InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3

inchikey

  • WKEMJKQOLOHJLZ-UHFFFAOYSA-N

mass

  • 335.46400

monoisotopicmass

  • 335.16675

smiles

  • CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12

subset

  • 3_STAR

synonym EXACT

  • N,N-dimethyl-2-{5-[(pyrrolidin-1-ylsulfonyl)methyl]-1H-indol-3-yl}ethanamine

synonym RELATED

  • 1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine
  • almotriptan

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:520985

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