BIAdb Alangimarckine 1099

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{{Drugbox | IUPAC_name =(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-8-ol | PubChem = 442159 | DrugBank = | ChemSpiderID = | chemical_formula =C₂₉H₃₇N₃O₃ | molecular_weight = 475.62238 | smiles = CCC1CN2CCC3=C(C(=C(C=C3C2CC1CC4C5=C(CCN4)C6=CC=CC=C6N5)OC)OC)O | 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

Alangium lamarckii

[edit] Function

Anthelmintic

[edit] General Properties

*Molecular Weight

475.62238

*Exact Mass

475.283492

*Molecular Formula

C₂₉H₃₇N₃O₃

*IUPAC NAME

(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-8-ol

*Canonical Smiles

CCC1CN2CCC3=C(C(=C(C=C3C2CC1CC4C5=C(CCN4)C6=CC=CC=C6N5)OC)OC)O

*Isomeric Smiles

CC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=C(CCN4)C6=CC=CC=C6N5)OC)OC)O

*XLogP

4.6

*Hydrogen bond donor

3

*Hydrogen bond acceptor

5

*Rotational Bond Count

5

*Topological Polar Surface Area

69.8

[edit] External Links

• Pubchem

• KEGG

Link to BIAdb Database