BIAdb Bicuculline methobromide 1555
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Bicuculline methobromide 1555
| |
| Systematic (IUPAC) name | |
| 6-(6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6H-furo[4,3-g][1,3]benzodioxol-8-one bromide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H20BrNO6 |
| Mol. mass | 462.2906 |
| 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
462.2906
*Exact Mass
461.0474
*Molecular Formula
C21H20BrNO6
*IUPAC NAME
6-(6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6H-furo[4,3-g][1,3]benzodioxol-8-one bromide
*Canonical Smiles
C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Br-]
*Isomeric Smiles
N/A
*XLogP
N/A
*Hydrogen bond donor
0
*Hydrogen bond acceptor
7
*Rotational Bond Count
1
*Topological Polar Surface Area
63.2
