BIAdb CID5316854 1756

BIAdb CID5316854 1756
Systematic (IUPAC) name
2,3-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-9,10-diol
Identifiers
CAS number	?
ATC code	?
PubChem	5316854
Chemical data
Formula	C₂₀H₂₄NO₄+
Mol. mass	342.40886
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

342.40886

*Exact Mass

342.170533

*Molecular Formula

C₂₀H₂₄NO₄+

*IUPAC NAME

2,3-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-9,10-diol

*Canonical Smiles

C[N+]12CCC3=CC(=C(C=C3C1CC4=C(C2)C(=C(C=C4)O)O)OC)OC

*Isomeric Smiles

N/A

*XLogP

2.6

*Hydrogen bond donor

2

*Hydrogen bond acceptor

4

*Rotational Bond Count

2

*Topological Polar Surface Area

58.9