BIAdb NSC168212 2821

BIAdb NSC168212 2821
Systematic (IUPAC) name
2-sulfoacetate;2,3,11-trimethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium
Identifiers
CAS number	?
ATC code	?
PubChem	5458366
Chemical data
Formula	C₂₃H₂₃NO₈S
Mol. mass	473.49562
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

473.49562

*Exact Mass

473.114437

*Molecular Formula

C₂₃H₂₃NO₈S

*IUPAC NAME

2-sulfoacetate;2,3,11-trimethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium

*Canonical Smiles

CC1=C2C=CC(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC.C(C(=O)[O-])S(=O)(=O)O

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

1

*Hydrogen bond acceptor

8

*Rotational Bond Count

4

*Topological Polar Surface Area

126