trans-Canadine-N-oxide
16,17-dimethoxy-13-oxido-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Also Known As: trans-Canadine-N-oxide|4H-Berberine N-oxide|Tetrahydroberberine N-oxide|16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaen-13-ium-13-olate|5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine 7-oxide|9,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline 7-oxide #|9,10-Dimethoxy-7-oxo-5,6,7,8,13,13a-hexahydro-2H-7lambda~5~-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14197 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.14197 |
| Monoisotopic Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 86639-35-2 |
|---|---|
| SMILES | COC1=C(C2=C(CC3C4=CC5=C(C=C4CC[N+]3(C2)[O-])OCO5)C=C1)OC |
| InChIKey | FCFHJJYTYOPPEM-UHFFFAOYSA-N |
Product Overview
trans-Canadine-N-oxide (CAS 86639-35-2), with molecular formula C20H21NO5 and molecular weight 355.14197 g/mol. IUPAC: 16,17-dimethoxy-13-oxido-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene.
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