BIAdb Papaveraldine 2896

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BIAdb Papaveraldine 2896
Systematic (IUPAC) name
(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-prop-2-enoxyazanium chloride
Identifiers
CAS number	?
ATC code	?
PubChem	5361176
Chemical data
Formula	C23H25ClN2O5
Mol. mass	444.908
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

Degradation product of papaverine

Function

Relaxant

General Properties

*Molecular Weight

444.908

*Exact Mass

444.1452

*Molecular Formula

C₂₃H₂₅ClN₂O₅

*IUPAC NAME

(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-prop-2-enoxyazanium chloride

*Canonical Smiles

COC1=C(C=C(C=C1)C(=[NH+]OCC=C)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC.[Cl-]

*Isomeric Smiles

COC1=C(C=C(C=C1)/C(=[NH+]OCC=C)/C2=NC=CC3=CC(=C(C=C32)OC)OC)OC.[Cl-]

*XLogP

N/A

*Hydrogen bond donor

1

*Hydrogen bond acceptor

7

*Rotational Bond Count

9

*Topological Polar Surface Area

73

External Links

• Pubchem

Link to BIAdb Database