Berbenine

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Berbenine
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	6473756
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	?

*Molecular Weight

608.7233

*Molecular Formula

C₃₇H₄₀N₂O₆

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C(C3=C2C1CC4=CC(=CC=C4)OC5=CC(=C(CC6C7=CC(=C(C=C7CCN6C)OC)O3)C=C5)O)OC)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC(=CC=C4)OC5=CC(=C(C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O3)C=C5)O)OC)OC

*XLogP

5.2

*Topological Polar Surface Area

72.9

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	[http://crdd.osdd.net/raghava/biadb/detail.php?id=2036 Link to BIAdb Database]		[http://crdd.osdd.net/raghava/biadb/detail.php?id=2036 Link to BIAdb Database]
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