2,3,10,11-tetrahydroxyberbine

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Revision as of 05:50, 23 April 2009

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Show 2-D Structure

2,3,10,11-tetrahydroxyberbine
Systematic (IUPAC) name
6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
Identifiers
CAS number	?
ATC code	?
PubChem	419774
Chemical data
Formula	C17H17NO4
Mol. mass	299.32118
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

RN given refers to parent cpd without isomeric designation; structure given in first source

General Properties

*Molecular Weight

299.32118

*Molecular Formula

C₁₇H₁₇NO₄

*IUPAC NAME

6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol

*Canonical Smiles

C1CN2CC3=CC(=C(C=C3CC2C4=CC(=C(C=C41)O)O)O)O

*Isomeric Smiles

N/A

*XLogP

1.2

*Topological Polar Surface Area

84.2

External Links

• Pubchem

Link to BIAdb Database