(12bS)-11-hydroxy-3,4,10-trimethoxy-6-methyl-7,8,12b,13-tetrahydro-5H-6-azatetraphen-6-ium

AlkaPlorer ID: AK325288

Synonym: None

IUPAC Name: (7R,13aS)-3,9,10-trimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2-ol

Structure

SMILES: COC1=CC2=C(C=C1O)[C@@H]1CC3=C(C[N@@+]1(C)CC2)C(OC)=C(OC)C=C3

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InChI: InChI=1S/C21H25NO4/c1-22-8-7-14-10-20(25-3)18(23)11-15(14)17(22)9-13-5-6-19(24-2)21(26-4)16(13)12-22/h5-6,10-11,17H,7-9,12H2,1-4H3/p+1/t17-,22+/m0/s1

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InChIKey: SXSWKAREZLTMEN-HTAPYJJXSA-O

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Properties Information

Molecule Weight: 356.44200000000006

TPSA: 47.92

MolLogP: 3.218100000000001

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information