chempirical

Pyrvinium pamoate

C49H42N3O6−CAS 3546-41-6768.89 g/mol

Open in Covalent MOL file
NN+NOHOO−OHOO−
AlkeneCarboxylic acidTertiary amine

Properties

Molecular formula
C49H42N3O6−
Molar mass
768.89 g/mol
Exact mass
768.3074 Da
Melting point
210–215 °C
logP
8.44Crippen estimate
Polar surface area
132.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3546-41-6
SMILES
Cc1cc(C=Cc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C(O)c1cc2ccccc2c(Cc2c([O-])c(C(=O)O)cc3ccccc23)c1[O-]
InChIKey
ZFWFZMYQXOKWIY-UHFFFAOYSA-L
InChI
InChI=1S/C26H28N3.C23H16O6/c1-19-17-21(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/h6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q+1;/p-2

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Names and synonyms

24 names · show all
  • Quinolinium, 6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-1-methyl-, 4,4′-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (2:1)
  • Quinolinium, 6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-1-methyl-, salt with 4,4′-methylenebis[3-hydroxy-2-naphthalenecarboxylic acid] (2:1)
  • Quinolinium, 6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)vinyl]-1-methyl-, salt with 4,4′-methylenebis[3-hydroxy-2-naphthoic acid] (2:1)
  • Bis[6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)vinyl]-1-methylquinolinium] 4,4′-methylenebis[3-hydroxy-2-naphthoate]
  • 2-Naphthoic acid, 4,4′-methylenebis[3-hydroxy-, ion(2-), bis[6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)vinyl]-1-methylquinolinium]
  • 2-Naphthalenecarboxylic acid, 4,4′-methylenebis[3-hydroxy-, ion(2-), bis[6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-1-methylquinolinium]
  • Povan
  • 6-Dimethylamino-2-[2-(2,5-dimethyl-1-phenyl-3-pyrryl)vinyl]-1-methylquinolinium salt of 2,2′-dihydroxy-1,1′-dinaphthylmethane-3,3′-dicarboxylic acid
  • Pyrvinium embonate
  • Viprynium embonate
  • Alnoxin
  • Molevac
  • neo-Oxypaat
  • Pamovin
  • Povanyl
  • Tru
  • Vanquin
  • Pyrcon
  • Altolat
  • Tolapin
  • Povanil
  • Poquil
  • Vermitibier
  • NSC 223622

Work with Pyrvinium pamoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pamoic acid130-85-8Free acid Hydroxyzine pamoate10246-75-0Salt Pyrantel pamoate22204-24-6Salt Oxantel pamoate68813-55-8Salt Disodium pamoate6640-22-8Salt

Similar compounds

2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carboxaldehyde83-18-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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