Papaverine codecarboxylateProduct ingredient for Papaverine
- Name
- Papaverine codecarboxylate
- 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
- DBSALT000784
- Structure
Structure for Papaverine codecarboxylate (DBSALT000784)
- Synonyms
- Not Available
- UNII
- 3RX65N0VN7
- CAS Number
- 56896-69-6
- Weight
- Average: 586.5269
Monoisotopic: 586.171631734 - Chemical Formula
- C28H31N2O10P
- InChI Key
- VTJFMXLVZKZSGE-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H21NO4.C8H10NO6P/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;1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h5-8,10-12H,9H2,1-4H3;2-3,11H,4H2,1H3,(H2,12,13,14)
- IUPAC Name
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid
- SMILES
- CC1=C(O)C(C=O)=C(COP(O)(O)=O)C=N1.COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.0129 mg/mL ALOGPS logP 4.19 ALOGPS logP 3.08 Chemaxon logS -4.4 ALOGPS pKa (Strongest Basic) 6.03 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 49.81 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 95.52 m3·mol-1 Chemaxon Polarizability 36.3 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon