BIAdb Noscapine 2809

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Revision as of 11:22, 20 November 2009

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BIAdb Noscapine 2809
Systematic (IUPAC) name
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
Identifiers
CAS number	?
ATC code	?
PubChem	275196
Chemical data
Formula	C22H23NO7
Mol. mass	413.42052
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

N/A

Function

Antitussive

General Properties

*Molecular Weight

413.42052

*Exact Mass

413.147452

*Molecular Formula

C₂₂H₂₃NO₇

*IUPAC NAME

(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one

*Canonical Smiles

CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3

*Isomeric Smiles

CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3

*XLogP

2.7

*Hydrogen bond donor

0

*Hydrogen bond acceptor

8

*Rotational Bond Count

4

*Topological Polar Surface Area

75.7

External Links

• Pubchem

• KEGG

Link to BIAdb Database