BIAdb Lopac0 000176 2554

BIAdb Lopac0 000176 2554
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
Identifiers
CAS number	?
ATC code	?
PubChem	104872
Chemical data
Formula	C₂₁H₂₀NO₆+
Mol. mass	382.3866
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

382.3866

*Exact Mass

382.129062

*Molecular Formula

C₂₁H₂₀NO₆+

*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

*Canonical Smiles

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

*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

*XLogP

2.6

*Hydrogen bond donor

0

*Hydrogen bond acceptor

6

*Rotational Bond Count

1

*Topological Polar Surface Area

63.2