CHEBI:81528 - Naltrindole

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ChEBI Name Naltrindole
ChEBI ID CHEBI:81528
Stars This entity has been manually annotated by a third party.
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Formula C26H26N2O3
Net Charge 0
Average Mass 414.49620
Monoisotopic Mass 414.19434
InChI InChI=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
InChIKey WIYUZYBFCWCCQJ-IFKAHUTRSA-N
SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
ChEBI Ontology
Outgoing Naltrindole (CHEBI:81528) is a isoquinolines (CHEBI:24922)
Synonym Source
NTI KEGG COMPOUND
Manual Xref Database
C18128 KEGG COMPOUND
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Registry Number Type Source
111555-53-4 CAS Registry Number KEGG COMPOUND