Ethyl 12-cytisineacetate

AlkaPlorer ID: AK072040

Synonym: ''

IUPAC Name: ethyl 2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetate

Structure

SMILES: CCOC(=O)CN1C[C@H]2C[C@H](C1)C1=CC=CC(=O)N1C2

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InChI: InChI=1S/C15H20N2O3/c1-2-20-15(19)10-16-7-11-6-12(9-16)13-4-3-5-14(18)17(13)8-11/h3-5,11-12H,2,6-10H2,1H3/t11-,12-/m1/s1

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InChIKey: LNGPXKWQLHVKQN-VXGBXAGGSA-N

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Source

Properties Information

Molecule Weight: 276.336

TPSA: 51.54

MolLogP: 0.8305

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information