skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organic aromatic compound > aromatic amine > 2-[(3r,6as,8s,10as)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > 2-[(3r,6as,8s,10as)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > 2-[(3r,6as,8s,10as)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone

Preferred term

2-[(3r,6as,8s,10as)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone  

Type

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

Broader concept

charge

  • 0

formula

  • C23H34FN3O4

inchi

  • InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20+,21+,22-/m1/s1

inchikey

  • UZQWVSGPDQQYNK-CLAROIROSA-N

mass

  • 435.533

monoisotopicmass

  • 435.25333

smiles

  • CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)F)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98986

Download this concept:

RDF/XML TURTLE JSON-LD