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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011679

(1S,2S,3S)-2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-3-ethyl-8-methoxy-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-1-sulfonate

Formula: C23H28N2O7S  |  Mol. Weight: 476.50 g/mol

IUPAC: (1S,2S,3S)-2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-3-ethyl-8-methoxy-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-1-sulfonate

Overview

Molecular Formula C23H28N2O7S
Molecular Weight 476.50 g/mol
Canonical SMILES CCC1C[N+]2=C(C(C1C(=COC)C(=O)OC)S(=O)(=O)[O-])C3=C(CC2)C4=C(N3)C=CC=C4OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy