Bicuculline

Revision as of 05:22, 23 April 2009 by Raghavagps (Talk | contribs)

Bicuculline
Systematic (IUPAC) name
(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Identifiers
CAS number	?
ATC code	?
PubChem	10237
Chemical data
Formula	C₂₀H₁₇NO₆
Mol. mass	367.35208
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

Isoquinoline alkaloid from Dicentra cucullaria and other plants that is a competitive antagonist at GABA-A receptors and thus causes convulsions.

*Molecular Weight

367.35208

*Molecular Formula

C₂₀H₁₇NO₆

*IUPAC NAME

(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one

*Canonical Smiles

CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3

*Isomeric Smiles

CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3

*XLogP

2.8

*Topological Polar Surface Area

66.5