BIAdb Fetidine 2162

BIAdb Fetidine 2162
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	442233
Chemical data
Formula	C₄₀H₄₆N₂O₈
Mol. mass	682.80184
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Thalictrum foetidum

Anti-inflammatory

*Molecular Weight

682.80184

*Exact Mass

682.325416

*Molecular Formula

C₄₀H₄₆N₂O₈

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)CC6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC

*XLogP

6.3

*Hydrogen bond donor

1

*Hydrogen bond acceptor

10

*Rotational Bond Count

10

*Topological Polar Surface Area

91.3