BIAdb Metocurine 2685

BIAdb Metocurine 2685
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	?

[edit] Description

Cyclea hainanensis

muscle relaxant

*Molecular Weight

652.81892

*Exact Mass

652.351237

*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

6.7

*Hydrogen bond donor

0

*Hydrogen bond acceptor

6

*Rotational Bond Count

4

*Topological Polar Surface Area

55.4