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CHEBI:125292 - (3S,4S)-3-[4-(hydroxymethyl)phenyl]-1'-(3-methoxypropyl)-2-[[2-(trifluoromethyl)phenyl]methyl]spiro[3H-isoquinoline-4,3'-4H-quinoline]-1,2'-dione

ChEBI IDCHEBI:125292
ChEBI Name(3S,4S)-3-[4-(hydroxymethyl)phenyl]-1'-(3-methoxypropyl)-2-[[2-(trifluoromethyl)phenyl]methyl]spiro[3H-isoquinoline-4,3'-4H-quinoline]-1,2'-dione
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DownloadsMolfile
FormulaC36H33F3N2O4
Net Charge0
Average Mass614.664
Monoisotopic Mass614.23924
SMILESCOCCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1C(F)(F)F)[C@H]2c1ccc(CO)cc1
InChIInChI=1S/C36H33F3N2O4/c1-45-20-8-19-40-31-14-7-3-9-26(31)21-35(34(40)44)30-13-6-4-11-28(30)33(43)41(32(35)25-17-15-24(23-42)16-18-25)22-27-10-2-5-12-29(27)36(37,38)39/h2-7,9-18,32,42H,8,19-23H2,1H3/t32-,35-/m0/s1
InChIKeyUPBBURUWLTUGNB-SHUZPENHSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,4S)-3-[4-(hydroxymethyl)phenyl]-1'-(3-methoxypropyl)-2-[[2-(trifluoromethyl)phenyl]methyl]spiro[3H-isoquinoline-4,3'-4H-quinoline]-1,2'-dione (CHEBI:125292) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-36763LINCS