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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014936

Brucine N-oxide hydrate

Formula: C23H26N2O5  |  Mol. Weight: 410.50 g/mol

IUPAC: (4aR,5aS,8aS,13aS,15aS,15bR)-10,11-dimethoxy-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one

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Overview

Molecular Formula C23H26N2O5
Molecular Weight 410.50 g/mol
Canonical SMILES COC1=C(C=C2C(=C1)C34CC[N+]5(C3CC6C7C4N2C(=O)CC7OCC=C6C5)[O-])OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy