Dehydroemetine

Dehydroemetine is a synthetically produced antiprotozoal agent similar to emetine in its anti-amoebic properties and structure (they differ only in a double bond next to the ethyl substituent), but it produces fewer side effects. In the United States, it is manufactured by Roche.

In the Vinony graph

Vinony's link graph records 40 inbound references to Dehydroemetine, and connects out to malaria, International Standard Book Number and arsenic.

Vinony files it under Antiprotozoal agents, Chemical pages without DrugBank identifier and Drugboxes which contain changes to verified fields.

Vinony links it to 10 Wikipedia language editions.

Chemical data

Formula: C29H38N2O4
Molecular weight: 478.6 g/mol
IUPAC name: (11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine
SMILES: CCC1=C(C[C@H]2C3=CC(=C(C=C3CCN2C1)OC)OC)C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC
InChIKey: XXLZPUYGHQWHRN-RPBOFIJWSA-N
XLogP: 3.7
Polar surface area: 52.2 Å²
H-bond donors: 1
H-bond acceptors: 6
Formal charge: 0

via PubChem

Drug data · ChEMBL

Max clinical phase: Phase 2
Molecule type: Small molecule
Indications: amebiasis

via ChEMBL · EBI

Wikidata facts

Subclass of: chemical compound
Mass: 478.283

Show 5 more facts

chemical formula: C₂₉H₃₈N₂O₄
canonical SMILES: CCC1=C(CC2C3=CC(=C(C=C3CCN2C1)OC)OC)CC4C5=CC(=C(C=C5CCN4)OC)OC
isomeric SMILES: CCC1=C(C[C@H]2NCCC3=CC(OC)=C(OC)C=C23)C[C@@H]4N(CCC5=C4C=C(OC)C(OC)=C5)C1
NCI Thesaurus ID: C418
defined daily dose: 60

Sources (3)

via Wikidata · CC0

~3 min read