Pyrvinium pamoateProduct ingredient for Pyrvinium
- Name
- Pyrvinium pamoate
- Drug Entry
- Pyrvinium
Pyrvinium is an anthelmintic effective for pinworms. Several forms of pyrvinium have been prepared with variable counter anions, such as halides, tosylate, triflate and pamoate. Pyrvinum's anti-cancer properties are currently under investigation.
- Accession Number
- DBSALT001378
- Structure
Structure for Pyrvinium pamoate (DBSALT001378)
- Synonyms
- Not Available
- UNII
- 310X6S84LW
- CAS Number
- 3546-41-6
- Weight
- Average: 1153.436
Monoisotopic: 1152.550236903 - Chemical Formula
- C75H72N6O6
- InChI Key
- OOPDAHSJBRZRPH-UHFFFAOYSA-N
- InChI
- InChI=1S/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;
- IUPAC Name
- bis(2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-6-(dimethylamino)-1-methylquinolin-1-ium); 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
- SMILES
- CN(C)C1=CC2=CC=C(\C=C\C3=C(C)N(C(C)=C3)C3=CC=CC=C3)[N+](C)=C2C=C1.CN(C)C1=CC2=CC=C(\C=C\C3=C(C)N(C(C)=C3)C3=CC=CC=C3)[N+](C)=C2C=C1.OC(=O)C1=CC2=CC=CC=C2C(CC2=C3C=CC=CC3=CC(C(O)=O)=C2O)=C1O
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.000288 mg/mL ALOGPS logP 2.04 ALOGPS logP 1.41 Chemaxon logS -6.2 ALOGPS pKa (Strongest Basic) 1.48 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 12.05 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 136.12 m3·mol-1 Chemaxon Polarizability 47.31 Å3 Chemaxon Number of Rings 12 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon