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Chemical structure of Dehydroemetine

GC60749

Dehydroemetine

Also known as (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

Dehydroemetine, a synthetic analogue of emetine dihydrochloride, is used for visceral leishmaniasis

ChemicalCAS4914-30-1MW478.62FormulaC29H38N2O4
CAS number
4914-30-1
Molecular weight
478.62
Formula
C29H38N2O4
Solubility
DMSO ： 50 mg/mL (104·47 mM; Need ultrasonic)
InChIKey
XXLZPUYGHQWHRN-RPBOFIJWSA-N
Catalogue number
GC60749
Brand
GLPBIO
Computed properties PubChem CID 21022 · XLogP 3.7 · TPSA 52.2 Ų · H-bond donors 1
XLogP
3.7
TPSA
52.2 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35

SMILES CCC1=C(C[C@H]2C3=CC(=C(C=C3CCN2C1)OC)OC)C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC

Computed descriptors from PubChem (CID 21022), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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