BIAdb Papaverinol 2911

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BIAdb Papaverinol 2911
Systematic (IUPAC) name
(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanol
Identifiers
CAS number	?
ATC code	?
PubChem	275192
Chemical data
Formula	C₂₀H₂₁NO₅
Mol. mass	355.38444
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

Degradation product of papaverine

Relaxant

*Molecular Weight

355.38444

*Exact Mass

355.141973

*Molecular Formula

C₂₀H₂₁NO₅

*IUPAC NAME

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

*Canonical Smiles

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

*Isomeric Smiles

N/A

*XLogP

2.8

*Hydrogen bond donor

1

*Hydrogen bond acceptor

6

*Rotational Bond Count

6

*Topological Polar Surface Area

70