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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009316

methyl (1S,12S,13S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-17-oxido-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

Formula: C21H24N2O4  |  Mol. Weight: 368.40 g/mol

IUPAC: methyl (1S,12S,13S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-17-oxido-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

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Overview

Molecular Formula C21H24N2O4
Molecular Weight 368.40 g/mol
Canonical SMILES CC=C1C[N+]2(C3CC1C(C2CC4=C3NC5=CC=CC=C45)(CO)C(=O)OC)[O-]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy