BIAdb Rodiasine 3108

BIAdb Rodiasine 3108
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	442345
Chemical data
Formula	C₃₈H₄₂N₂O₆
Mol. mass	622.74988
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Ocotea venenosa

muscle relaxant

*Molecular Weight

622.74988

*Exact Mass

622.304287

*Molecular Formula

C₃₈H₄₂N₂O₆

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC

*Isomeric Smiles

CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC

*XLogP

6.4

*Hydrogen bond donor

1

*Hydrogen bond acceptor

8

*Rotational Bond Count

4

*Topological Polar Surface Area

72.9