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

AlkaPlorer ID: AK278467

Synonym: None

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

Structure

SMILES: COC1=C(OC)C=C2C(=C1)CC[N@@+]1([O-])CC3=C(OC)C(OC)=CC=C3C[C@@H]21

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InChI: InChI=1S/C21H25NO5/c1-24-18-6-5-13-9-17-15-11-20(26-3)19(25-2)10-14(15)7-8-22(17,23)12-16(13)21(18)27-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-,22+/m0/s1

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InChIKey: QYEMUDHNCZHUKC-HTAPYJJXSA-N

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Properties Information

Molecule Weight: 371.4330000000001

TPSA: 59.98

MolLogP: 3.3891000000000018

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information