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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022694

1-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate

Formula: C24H26N2O16S  |  Mol. Weight: 630.50 g/mol

IUPAC: 1-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate

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Overview

Molecular Formula C24H26N2O16S
Molecular Weight 630.50 g/mol
Canonical SMILES C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)COS(=O)(=O)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy