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Concept information

ترکیب آروماتیک آلی > آمین معطر > 2 [(3R,6aR,8S,10aR) 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] N (4mideylri)

Preferred term

2 [(3R,6aR,8S,10aR) 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] N (4mideylri)  

Type

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

Broader concept

charge

  • 0

formula

  • C25H32FN3O4

inchi

  • InChI=1S/C25H32FN3O4/c26-20-3-1-2-19(12-20)14-29-15-21(30)16-32-17-24-23(29)5-4-22(33-24)13-25(31)28-11-8-18-6-9-27-10-7-18/h1-3,6-7,9-10,12,21-24,30H,4-5,8,11,13-17H2,(H,28,31)/t21-,22+,23-,24+/m1/s1

inchikey

  • XINMNOWMZQSCNC-QPXUXIHVSA-N

mass

  • 457.539

monoisotopicmass

  • 457.23768

smiles

  • C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC(=CC=C3)F)O)O[C@@H]1CC(=O)NCCC4=CC=NC=C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:131073

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