BIAdb Nchembio.105-comp33 2754

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{{Drugbox | IUPAC_name =4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzene-1,2-diol | PubChem = 440591 | DrugBank = | ChemSpiderID = | chemical_formula =C₁₈H₂₁NO₄ | molecular_weight = 315.36364 | smiles = CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)OC | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

315.36364

*Exact Mass

315.147058

*Molecular Formula

C₁₈H₂₁NO₄

*IUPAC NAME

4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzene-1,2-diol

*Canonical Smiles

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)O)O)O)OC

*XLogP

2.7

*Hydrogen bond donor

3

*Hydrogen bond acceptor

5

*Rotational Bond Count

3

*Topological Polar Surface Area

73.2

[edit] External Links

• Pubchem

• KEGG

Link to BIAdb Database