BIAdb Bicuculline methiodide 1554

BIAdb Bicuculline methiodide 1554
Systematic (IUPAC) name
(6R)-6-[(5S)-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 iodide
Identifiers
CAS number	?
ATC code	?
PubChem	104871
Chemical data
Formula	C₂₁H₂₀INO₆
Mol. mass	509.29107
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

GABA-A antagonist

*Molecular Weight

509.29107

*Exact Mass

509.03353

*Molecular Formula

C₂₁H₂₀INO₆

*IUPAC NAME

(6R)-6-[(5S)-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 iodide

*Canonical Smiles

C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-]

*Isomeric Smiles

C[N+]1(CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-]

*XLogP

N/A

*Hydrogen bond donor

0

*Hydrogen bond acceptor

7

*Rotational Bond Count

1

*Topological Polar Surface Area

63.2