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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031138

(6aS)-1,2,3,9,10-pentamethoxy-6-methyl-8-[4-[[(1S,2S)-5,6,7-trimethoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

Formula: C42H50N2O10  |  Mol. Weight: 742.90 g/mol

IUPAC: (6aS)-1,2,3,9,10-pentamethoxy-6-methyl-8-[4-[[(1S,2S)-5,6,7-trimethoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

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Overview

Molecular Formula C42H50N2O10
Molecular Weight 742.90 g/mol
Canonical SMILES CN1CCC2=C3C1CC4=C(C(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC)OC5=CC=C(C=C5)CC6C7=CC(=C(C(=C7CC[N+]6(C)[O-])OC)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy