CHEBI:125350 - 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
ChEBI ID CHEBI:125350
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H33F3N2O4
Net Charge 0
Average Mass 518.569
Monoisotopic Mass 518.23924
InChI InChI=1S/C28H33F3N2O4/c29-28(30,31)22-7-5-19(6-8-22)14-33-16-23(34)17-36-18-26-25(33)10-9-24(37-26)13-27(35)32-12-11-20-3-1-2-4-21(20)15-32/h1-8,23-26,34H,9-18H2/t23-,24+,25-,26+/m1/s1
InChIKey GGMMDGYUEUFUDI-ZJSPYRCASA-N
SMILES C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC=C(C=C3)C(F)(F)F)O)O[C@@H]1CC(=O)N4CCC5=CC=CC=C5C4
ChEBI Ontology
Outgoing 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CHEBI:125350) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-36822 LINCS
View more database links