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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039186

[(3R,6S,7S,8S,11R,12S,14R,15S,16R)-6-[benzoyl(methyl)amino]-15-[(1S)-1-(dimethylamino)ethyl]-3-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl] acetate

Formula: C36H54N2O5  |  Mol. Weight: 594.80 g/mol

IUPAC: [(3R,6S,7S,8S,11R,12S,14R,15S,16R)-6-[benzoyl(methyl)amino]-15-[(1S)-1-(dimethylamino)ethyl]-3-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl] acetate

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Overview

Molecular Formula C36H54N2O5
Molecular Weight 594.80 g/mol
Canonical SMILES CC(C1C(CC2(C1(CC=C3C2CCC4C(C(CCC4(C3)O)N(C)C(=O)C5=CC=CC=C5)(C)CO)C)C)OC(=O)C)N(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy