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CHEBI:81528 - Naltrindole

ChEBI IDCHEBI:81528
ChEBI NameNaltrindole
Stars
DownloadsMolfile
FormulaC26H26N2O3
Net Charge0
Average Mass414.505
Monoisotopic Mass414.19434
SMILESOc1ccc2c3c1O[C@H]1c4nc5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIInChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
InChIKeyWIYUZYBFCWCCQJ-IFKAHUTRSA-N
ChEBI Ontology
Outgoing Relation(s)
Naltrindole (CHEBI:81528) is a isoquinolines (CHEBI:24922)
Synonym  Source
NTIKEGG COMPOUND
Manual XrefsDatabases
C18128KEGG COMPOUND
Registry NumbersSources
CAS:111555-53-4KEGG COMPOUND