CHEBI:102644 - 2-[(3R,6aS,8S,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(3R,6aS,8S,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
ChEBI ID CHEBI:102644
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H26Cl2N2O4
Net Charge 0
Average Mass 417.327
Monoisotopic Mass 416.12696
InChI InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14+,17+,18-/m1/s1
InChIKey ZCDZHCWZNJFIKB-IDCJVQTKSA-N
SMILES CNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O
ChEBI Ontology
Outgoing 2-[(3R,6aS,8S,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide (CHEBI:102644) is a dichlorobenzene (CHEBI:23697)
Manual Xref Database
LSM-13991 LINCS
View more database links