Thaicanine; (S)-form, N-Me 

AlkaPlorer ID: AK315694

Synonym: N-Methylthaicanine 

IUPAC Name: 2,3,9,10-tetramethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-4-ol

Structure

SMILES: COC1=CC2=C(CC[N+]3(C)CC4=C(C=CC(OC)=C4OC)CC23)C(O)=C1OC

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InChI: InChI=1S/C22H27NO5/c1-23-9-8-14-15(11-19(26-3)22(28-5)20(14)24)17(23)10-13-6-7-18(25-2)21(27-4)16(13)12-23/h6-7,11,17H,8-10,12H2,1-5H3/p+1

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InChIKey: GMEKINRBXSRLOP-UHFFFAOYSA-O

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Reference

PubChem CID: 163193786

CAS: 142934-42-7

Source

Properties Information

Molecule Weight: 386.4680000000002

TPSA: 57.150000000000006

MolLogP: 3.226700000000002

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information