8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid; (1R)-form, Me ester, N-oxide
AlkaPlorer ID: AK305922
Synonym: Anhydroecgonine methyl ester N-oxide
IUPAC Name: methyl 8-methyl-8-oxido-8-azoniabicyclo[3.2.1]oct-2-ene-2-carboxylate
Structure
SMILES: COC(=O)C1=CCC2CCC1[N+]2(C)[O-]
InChI: InChI=1S/C10H15NO3/c1-11(13)7-3-5-8(10(12)14-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3
InChIKey: FDQZSNCRUAGVKH-UHFFFAOYSA-N
Reference
PubChem CID: 102354420
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythroxylum emarginatum | Erythroxylum | Erythroxylaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 197.234
TPSA？: 49.36
MolLogP？: 0.9649
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|