(Q82883702)

English

9-{4-[(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol

group of stereoisomers with the chemical formula C₃₆H₃₈N₂O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

594.2729869359999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₈N₂O₆

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based on heuristic

inferred from SMILES

canonical SMILES

COc1cc2c(cc1OC)C(Cc1ccc(Oc3cc4c(cc3O)-c3c(O)c(OC)cc5c3C(C4)N(C)CC5)cc1)NCC2

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1cc2c(cc1OC)C(Cc1ccc(Oc3cc4c(cc3O)-c3c(O)c(OC)cc5c3[C@@H](C4)N(C)CC5)cc1)NCC2

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C36H38N2O6/c1-38-12-10-22-16-33(43-4)36(40)35-26-18-29(39)30(17-23(26)14-28(38)34(22)35)44-24-7-5-20(6-8-24)13-27-25-19-32(42-3)31(41-2)15-21(25)9-11-37-27/h5-8,15-19,27-28,37,39-40H,9-14H2,1-4H3/t27?,28-/m1/s1

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InChIKey

MZEOGFQTGVLLHY-PLYLYKGUSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID001342166

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(Q82883702)

9-{4-[(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol

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