Thalpetaline

AlkaPlorer ID: AK315842

Synonym: 3,4-Dihydro-7-methoxy-2-methyl-5,6-methylenedioxyisoquinolinium(1+)

IUPAC Name: 4-methoxy-7-methyl-8,9-dihydro-[1,3]dioxolo[4,5-f]isoquinolin-7-ium

Structure

SMILES: COC1=CC2=C(CC[N+](C)=C2)C2=C1OCO2

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InChI: InChI=1S/C12H14NO3/c1-13-4-3-9-8(6-13)5-10(14-2)12-11(9)15-7-16-12/h5-6H,3-4,7H2,1-2H3/q+1

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InChIKey: UFHPGUZJYNKWNU-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 220.248

TPSA: 30.7

MolLogP: 1.0412

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information