Assoanine; 7-Oxo, N-oxide 

AlkaPlorer ID: AK289637

Synonym: Oxoassoanine N-oxide 

IUPAC Name: 4,5-dimethoxy-9-oxido-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaen-8-one

Structure

SMILES: COC1=CC2=C(C=C1OC)C1=CC=CC3=C1[N+]([O-])(CC3)C2=O

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InChI: InChI=1S/C17H15NO4/c1-21-14-8-12-11-5-3-4-10-6-7-18(20,16(10)11)17(19)13(12)9-15(14)22-2/h3-5,8-9H,6-7H2,1-2H3

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InChIKey: NDQXBZSUUGAKED-UHFFFAOYSA-N

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Reference

PubChem CID: 14583604

CAS: 129225-26-9

Source

Properties Information

Molecule Weight: 297.31000000000006

TPSA: 58.59

MolLogP: 2.885800000000001

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information