BIAdb Emetine 2090

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{{Drugbox | IUPAC_name =(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-pyrido[2,1-a]isoquinoline | PubChem = 10219 | DrugBank = | ChemSpiderID = | chemical_formula =C₂₉H₄₀N₂O₄ | molecular_weight = 480.6389 | smiles = CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

[edit] Description

[edit] Source

Cephaelis ipecacuanha

[edit] Function

Cytotoxic

[edit] General Properties

*Molecular Weight

480.6389

*Exact Mass

480.298808

*Molecular Formula

C₂₉H₄₀N₂O₄

*IUPAC NAME

(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-pyrido[2,1-a]isoquinoline

*Canonical Smiles

CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC

*Isomeric 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

*XLogP

4.7

*Hydrogen bond donor

1

*Hydrogen bond acceptor

6

*Rotational Bond Count

7

*Topological Polar Surface Area

52.2

[edit] External Links

• Pubchem

• KEGG

Link to BIAdb Database