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Chemical structure of Emetine (hydrochloride)

GC43599

Emetine (hydrochloride)

Also known as (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;dihydrochloride

An anti-protozoal drug used for intestinal and tissue amoebiasis

ChemicalCAS316-42-7MW553.6FormulaC29H40N2O4 • 2HCl
CAS number
316-42-7
Molecular weight
553.6
Formula
C29H40N2O4 • 2HCl
Solubility
1mg/ml in chloroform; 100mg/ml in water
InChIKey
JROGBPMEKVAPEH-GXGBFOEMSA-N
Catalogue number
GC43599
Brand
GLPBIO
Computed properties PubChem CID 3068143 · TPSA 52.2 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
52.2 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
37

SMILES CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl.Cl

Computed descriptors from PubChem (CID 3068143), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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