BIAdb Bicuculline methochloride 1556
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Bicuculline methochloride 1556
| |
| Systematic (IUPAC) name | |
| (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methylfuro[4,3-g][1,3]benzodioxol-8-onechloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C22H22ClNO6 |
| Mol. mass | 431.86618 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Guaternary analog of bicuculline
[edit] Function
GABA antagonist
[edit] General Properties
*Molecular Weight
431.86618
*Exact Mass
431.113565
*Molecular Formula
C22H22ClNO6
*IUPAC NAME
(6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methylfuro[4,3-g][1,3]benzodioxol-8-onechloride
*Canonical Smiles
CC1(C2=C(C3=C(C=C2)OCO3)C(=O)O1)C4C5=CC6=C(C=C5CC[N+]4(C)C)OCO6.[Cl-]
*Isomeric Smiles
C[C@@]1(C2=C(C3=C(C=C2)OCO3)C(=O)O1)[C@@H]4C5=CC6=C(C=C5CC[N+]4(C)C)OCO6.[Cl-]
*XLogP
N/A
*Hydrogen bond donor
0
*Hydrogen bond acceptor
7
*Rotational Bond Count
1
*Topological Polar Surface Area
63.2
