Metocurine

Revision as of 00:00, 15 January 2001 by Special:Contributions/ (Talk)

Metocurine
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	21233
Chemical data
Formula	C₄₀H₄₈N₂O₆+₂
Mol. mass	652.81892
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

from Chinese herb Cyclea hainanensis Mrr

*Molecular Weight

652.81892

*Molecular Formula

C₄₀H₄₈N₂O₆+₂

*IUPAC NAME

N/A

*Canonical Smiles

C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C

*Isomeric Smiles

C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C

*XLogP

N/A

*Topological Polar Surface Area

55.4