4,5-Dihydro-1,9-dihydroxy-2,11-dimethoxy-7-oxoaporphine; 1-Me ether, N-Me 

AlkaPlorer ID: AK295677

Synonym: Dicranostigmine

IUPAC Name: 3,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),13,15-hexaene-5,8-dione

Structure

SMILES: COC1=CC2=C3C(=[N+](C)CC2)C(=O)C2=CC([O-])=CC(OC)=C2C3=C1OC

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InChI: InChI=1S/C20H19NO5/c1-21-6-5-10-7-14(25-3)20(26-4)17-15(10)18(21)19(23)12-8-11(22)9-13(24-2)16(12)17/h7-9H,5-6H2,1-4H3

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InChIKey: HUJXKGUBURJETA-UHFFFAOYSA-N

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Reference

PubChem CID: 60152208

CAS: 1213702-90-9

Properties Information

Molecule Weight: 353.37400000000014

TPSA: 70.83000000000001

MolLogP: 1.6367999999999998

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information