CHEBI:129252 - 2-(dimethylamino)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(dimethylamino)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
ChEBI ID CHEBI:129252
Stars This entity has been manually annotated by a third party.
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Formula C19H26F3N3O2
Net Charge 0
Average Mass 385.425
Monoisotopic Mass 385.19771
InChI InChI=1S/C19H26F3N3O2/c1-23(2)10-16(27)25-15(11-26)17(14-6-4-3-5-7-14)18(25)12-24(13-18)9-8-19(20,21)22/h3-7,15,17,26H,8-13H2,1-2H3/t15-,17-/m1/s1
InChIKey UKUPLVQGLJTKLT-NVXWUHKLSA-N
SMILES CN(C)CC(=O)N1[C@@H]([C@H](C12CN(C2)CCC(F)(F)F)C3=CC=CC=C3)CO
ChEBI Ontology
Outgoing 2-(dimethylamino)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone (CHEBI:129252) is a azetidines (CHEBI:38777)
2-(dimethylamino)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone (CHEBI:129252) is a benzenes (CHEBI:22712)
2-(dimethylamino)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone (CHEBI:129252) is a ring assembly (CHEBI:36820)
Manual Xref Database
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