CHEBI:80003 - Fexaramine

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ChEBI Name Fexaramine
ChEBI ID CHEBI:80003
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H36N2O3
Net Charge 0
Average Mass 496.63980
Monoisotopic Mass 496.27259
InChI InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+
InChIKey VLQTUNDJHLEFEQ-KGENOOAVSA-N
SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
ChEBI Ontology
Outgoing Fexaramine (CHEBI:80003) is a biphenyls (CHEBI:22888)
Manual Xref Database
C15649 KEGG COMPOUND
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Registry Number Type Source
574013-66-4 CAS Registry Number KEGG COMPOUND