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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP021870

(3beta,20alpha)-17beta-Hydroxy-9-methoxy-16beta-methoxycarbonylyohimban 4-oxide

Formula: C22H28N2O5  |  Mol. Weight: 400.50 g/mol

IUPAC: methyl (1R,15S,18R,19S,20S)-18-hydroxy-8-methoxy-13-oxido-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-13-ium-19-carboxylate

Overview

Molecular Formula C22H28N2O5
Molecular Weight 400.50 g/mol
Canonical SMILES COC1=CC=CC2=C1C3=C(N2)C4CC5C(CCC(C5C(=O)OC)O)C[N+]4(CC3)[O-]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy