CHEBI:81475 - N-Desmethylzolmitriptan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-Desmethylzolmitriptan
ChEBI ID CHEBI:81475
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H19N3O2
Net Charge 0
Average Mass 273.33030
Monoisotopic Mass 273.14773
InChI InChI=1S/C15H19N3O2/c1-16-5-4-11-8-17-14-3-2-10(7-13(11)14)6-12-9-20-15(19)18-12/h2-3,7-8,12,16-17H,4-6,9H2,1H3,(H,18,19)/t12-/m1/s1
InChIKey QGGCHSMZXKNGCK-GFCCVEGCSA-N
SMILES CNCCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12
ChEBI Ontology
Outgoing N-Desmethylzolmitriptan (CHEBI:81475) is a tryptamines (CHEBI:27162)
Synonym Source
183C91 KEGG COMPOUND
Manual Xref Database
C18056 KEGG COMPOUND
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Registry Number Type Source
139264-35-0 CAS Registry Number KEGG COMPOUND