Papaverine hydrochlorideProduct ingredient for Papaverine

Show full entry for Papaverine
Name
Papaverine hydrochloride
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.

See full entry for Papaverine
Accession Number
DBSALT000412
Structure
Similar Structures
Synonyms
Papaverine HCl
UNII
23473EC6BQ
CAS Number
61-25-6
Weight
Average: 375.846
Monoisotopic: 375.123735904
Chemical Formula
C20H22ClNO4
InChI Key
UOTMYNBWXDUBNX-UHFFFAOYSA-N
InChI
InChI=1S/C20H21NO4.ClH/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;/h5-8,10-12H,9H2,1-4H3;1H
IUPAC Name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride
SMILES
Cl.COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1
PubChem Compound
6084
ChemSpider
5859
ChEBI
254419
ChEMBL
CHEMBL98123
Wikipedia
Papaverine
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
Polarizability36.3 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon