BIAdb Narcotoline 2747

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BIAdb Narcotoline 2747
Systematic (IUPAC) name
(3S)-3-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
Identifiers
CAS number  ?
ATC code  ?
PubChem 442330
Chemical data
Formula C21H21NO7
Mol. mass 399.39394
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Contents

[edit] Description

[edit] Source

Papaver somniferum

[edit] Function

Respiratory stimulant

[edit] General Properties

*Molecular Weight

399.39394

*Exact Mass

399.131802

*Molecular Formula

C21H21NO7

*IUPAC NAME

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

*Canonical Smiles

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

*Isomeric Smiles

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

*XLogP

2.4

*Hydrogen bond donor

1

*Hydrogen bond acceptor

8

*Rotational Bond Count

3

*Topological Polar Surface Area

86.7

[edit] External Links

Link to BIAdb Database