BIAdb Oxyacanthine 2877

BIAdb Oxyacanthine 2877
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	73415
Chemical data
Formula	C₃₇H₄₀N₂O₆
Mol. mass	608.7233
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Berberis

Calcium channel blocker

*Molecular Weight

608.7233

*Exact Mass

608.288637

*Molecular Formula

C₃₇H₄₀N₂O₆

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)OC3)O)O)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)OC3)O)O)OC

*XLogP

5.9

*Hydrogen bond donor

2

*Hydrogen bond acceptor

8

*Rotational Bond Count

2

*Topological Polar Surface Area

83.9