Emetine Hydrochloride
(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;hydrochloride
Molecular Identity
Emetine Hydrochloride
(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;hydrochloride
PubChem CID: 6603320
2D Structure
Properties
C29H41ClN2O4
Molecular Formula
517.10
Molecular Weight
g/mol
516.2755
Exact Mass
Da
52.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
679
Complexity
SMILES
Canonical SMILES
SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.ClIsomeric SMILES
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.ClSynonyms(20)
Emetine hydrochlorideHemometinaEmetine HClDTXSID80424947NSC33669NSC-756754Hydrochloride, EmetineDihydrochloride, Emetine2H-Benzo(a)quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(((1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)methyl)-, dihydrochloride, (2S,3R,11bS)-RefChem:920925DTXCID60375781206-259-8(-)-emetine dihydrochloride2H-Benzo(a)quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(((1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)methyl)-, hydrochloride (1:2), (2S,3R,11bS)-316-42-7
Data from PubChem (NCBI)
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