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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020435

Grisabutine

Formula: C36H40N2O6  |  Mol. Weight: 596.70 g/mol

IUPAC: (1R)-1-[[4-[2-hydroxy-5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

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Overview

Molecular Formula C36H40N2O6
Molecular Weight 596.70 g/mol
Canonical SMILES CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy