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    Pyrvinium

    FINISHED DOSAGE FORMULATIONS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 3546-41-6, Pyrvinium embonate, Pyrviniumpamoate, Vanquil, Ncgc00017042-01, Cas-3546-41-6
    Molecular Formula
    C75H70N6O6
    Molecular Weight
    1151.4  g/mol
    InChI Key
    OOPDAHSJBRZRPH-UHFFFAOYSA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate;2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine
    2.1.2 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;/p-2
    2.1.3 InChI Key
    OOPDAHSJBRZRPH-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-])[O-])C(=O)O
    2.1.5 Isomeric SMILES
    CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C(C=C4)N(C)C)C=C3)C.CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C(C=C4)N(C)C)C=C3)C.C1=CC=C2C(=C(C(=CC2=C1)C(=O)O)[O-])CC3=C(C(=CC4=CC=CC=C34)C(=O)O)[O-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Molevac

    2. Pamoxan

    3. Povanyl

    4. Pyrcon

    5. Pyrvinium

    6. Pyrvinium Iodide

    7. Pyrvinium Monohydroxide

    8. Pyrvinium Pamoate (2:1)

    9. Vankin

    10. Vanquin

    2.2.2 Depositor-Supplied Synonyms

    1. 3546-41-6

    2. Pyrvinium Embonate

    3. Pyrviniumpamoate

    4. Vanquil

    5. Ncgc00017042-01

    6. Cas-3546-41-6

    7. Dipyrivinium Pamoate

    8. Povan (tn)

    9. Dsstox_cid_3545

    10. Dsstox_rid_77072

    11. Dsstox_gsid_23545

    12. Schembl62130

    13. Pyrvinium Pamoate (jan/usp)

    14. Amy391

    15. Chebi:8688

    16. Chembl1908377

    17. Dtxsid4023545

    18. Ex-a4867

    19. Hy-a0293

    20. Tox21_110753

    21. Bdbm50198749

    22. Mfcd00010090

    23. Akos037645075

    24. Cs-6311

    25. As-56860

    26. D00489

    27. Sr-01000872694

    28. Sr-01000872694-1

    29. (e)-2-(2-(2,5-dimethyl-1-phenyl-1h-pyrrol-3-yl)vinyl)-6-(dimethylamino)-1-methylquinolin-1-ium 4,4'-methylenebis(3-hydroxy-2-naphthoate)

    30. 2-(2-(2,5-dimethyl-1-phenyl-1h-pyrrol-3-yl)vinyl)-6-(dimethylamino)-1-methylquinolin-1-ium Bis-4,4'-methylenebis(3-hydroxy-2-naphthoate)

    31. 4-[(3-carboxylato-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylate; 2-[(e)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-n,n,1-trimethyl-quinolin-1-ium-6-amine

    32. Bis{6-(dimethylamino)-2-[(e)-2-(2,5-dimethyl-1-phenyl-1h-pyrrol-3-yl)ethenyl]-1-methylquinolinium} 4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylate)

    2.3 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 1151.4 g/mol
    Molecular Formula C75H70N6O6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count12
    Exact Mass1150.53568397 g/mol
    Monoisotopic Mass1150.53568397 g/mol
    Topological Polar Surface Area145 Ų
    Heavy Atom Count87
    Formal Charge0
    Complexity1120
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anthelmintics

    Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal. (See all compounds classified as Anthelmintics.)