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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006273

Sepaconitine

Formula: C30H42N2O8  |  Mol. Weight: 558.70 g/mol

IUPAC: [(1R,2R,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-2,3,8-trihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-aminobenzoate

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Overview

Molecular Formula C30H42N2O8
Molecular Weight 558.70 g/mol
Canonical SMILES CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4(C5(C6OC)O)O)OC)O)OC)OC(=O)C7=CC=CC=C7N

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy