BIAdb Bicuculline methobromide 1555

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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	171729
Chemical data
Formula	C₂₁H₂₀BrNO₆
Mol. mass	462.2906
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*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