Bicuculline methoxide
methyl 5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate
Also Known As: Bicuculline methoxide|1,3-Benzodioxole-4-carboxylic acid, 5-(hydroxy(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)-, methyl ester|methyl 5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate|Methyl 5-[hydroxy(6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-2H-1,3-benzodioxole-4-carboxylate|methyl 5-[hydroxy(6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate
| Molecular Formula | C21H21NO7 |
|---|---|
| Molecular Weight | 399.1318 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.1318 |
| Monoisotopic Mass | 399.1318 |
| Heavy Atoms | 29 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 41544-46-1 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2C1C(C4=C(C5=C(C=C4)OCO5)C(=O)OC)O)OCO3 |
| InChIKey | DYXUHSYICPYLBB-UHFFFAOYSA-N |
Product Overview
Bicuculline methoxide (CAS 41544-46-1), with molecular formula C21H21NO7 and molecular weight 399.1318 g/mol. IUPAC: methyl 5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate.
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