BIAdb Papaveraldine 2897

BIAdb Papaveraldine 2897
Systematic (IUPAC) name
(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanone
Identifiers
CAS number	?
ATC code	?
PubChem	96932
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	?

[edit] Description

Degradation product of papaverine

Relaxant

*Molecular Weight

353.36856

*Exact Mass

353.126323

*Molecular Formula

C₂₀H₁₉NO₅

*IUPAC NAME

(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanone

*Canonical Smiles

COC1=C(C=C(C=C1)C(=O)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC

*Isomeric Smiles

N/A

*XLogP

3.7

*Hydrogen bond donor

0

*Hydrogen bond acceptor

6

*Rotational Bond Count

6

*Topological Polar Surface Area

66.9