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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015501

4,9-Anhydrotetrodotoxin

Formula: C11H15N3O7  |  Mol. Weight: 301.25 g/mol

IUPAC: (1R,2S,3S,4S,5R,9S,11S,12S,14R)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadec-7-ene-2,4,12-triol

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Overview

Molecular Formula C11H15N3O7
Molecular Weight 301.25 g/mol
Canonical SMILES C(C1(C2C3C4N=C(NC35C(C1OC(C5O4)(O2)O)O)N)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy