BIAdb Bicuculline methoxide 1557
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Bicuculline methoxide 1557
| |
| Systematic (IUPAC) name | |
| methyl5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H21NO7 |
| Mol. mass | 399.39394 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
399.39394
*Exact Mass
399.131802
*Molecular Formula
C21H21NO7
*IUPAC NAME
methyl5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate
*Canonical Smiles
CN1CCC2=CC3=C(C=C2C1C(C4=C(C5=C(C=C4)OCO5)C(=O)OC)O)OCO3
*Isomeric Smiles
N/A
*XLogP
2.2
*Hydrogen bond donor
1
*Hydrogen bond acceptor
8
*Rotational Bond Count
4
*Topological Polar Surface Area
86.7
