Papaverine sulfateProduct ingredient for Papaverine

Name
Papaverine sulfate
Drug Entry
Papaverine

An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.

Accession Number
DBSALT002205
Structure
Synonyms
Not Available
UNII
7A476JZB2T
CAS Number
2053-26-1
Weight
Average: 437.46
Monoisotopic: 437.114437879
Chemical Formula
C20H23NO8S
InChI Key
KYFCEOITJFJQGT-UHFFFAOYSA-N
InChI
InChI=1S/C20H21NO4.H2O4S/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5(2,3)4/h5-8,10-12H,9H2,1-4H3;(H2,1,2,3,4)
IUPAC Name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; sulfuric acid
SMILES
OS(O)(=O)=O.COC1=CC=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1OC
ChemSpider
67486
Predicted Properties
PropertyValueSource
Water Solubility0.0129 mg/mLALOGPS
logP4.19ALOGPS
logP3.08Chemaxon
logS-4.4ALOGPS
pKa (Strongest Basic)6.03Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area49.81 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity95.52 m3·mol-1Chemaxon
Polarizability36.57 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon