CHEBI:102464 - 2-[(3R,6aR,8R,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]-N,N-dimethylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(3R,6aR,8R,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]-N,N-dimethylacetamide
ChEBI ID CHEBI:102464
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H29F3N2O4
Net Charge 0
Average Mass 430.462
Monoisotopic Mass 430.20794
InChI InChI=1S/C21H29F3N2O4/c1-25(2)20(28)9-17-7-8-18-19(30-17)13-29-12-16(27)11-26(18)10-14-3-5-15(6-4-14)21(22,23)24/h3-6,16-19,27H,7-13H2,1-2H3/t16-,17-,18-,19+/m1/s1
InChIKey OUTWOBHUWTVFCP-MKXGPGLRSA-N
SMILES CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CC3=CC=C(C=C3)C(F)(F)F)O
ChEBI Ontology
Outgoing 2-[(3R,6aR,8R,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]-N,N-dimethylacetamide (CHEBI:102464) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual Xref Database
LSM-13815 LINCS
View more database links