BIAdb Parfumine 2918

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Revision as of 11:27, 20 November 2009

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BIAdb Parfumine 2918
Systematic (IUPAC) name
7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one
Identifiers
CAS number	?
ATC code	?
PubChem	376403
Chemical data
Formula	C20H19NO5
Mol. mass	353.36856
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

Fumaria officinalis

Function

Unknown

General Properties

*Molecular Weight

353.36856

*Exact Mass

353.126323

*Molecular Formula

C₂₀H₁₉NO₅

*IUPAC NAME

7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one

*Canonical Smiles

CN1CCC2=CC(=C(C=C2C13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC

*Isomeric Smiles

N/A

*XLogP

2.8

*Hydrogen bond donor

1

*Hydrogen bond acceptor

6

*Rotational Bond Count

1

*Topological Polar Surface Area

68.2

External Links

• Pubchem

Link to BIAdb Database