Pyrvinium pamoate

CAS Registry Number®

3546-41-6

CAS Name

Pyrvinium pamoate

Molecular Formula

C26H28N3.1/2C23H14O6

Cite this Page

Pyrvinium pamoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3546-41-6 (retrieved 2024-11-22) (CAS RN: 3546-41-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210-215 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

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

InChIKey

InChIKey=ZFWFZMYQXOKWIY-UHFFFAOYSA-L

SMILES

C(C=1C2=C(C=C(C([O-])=O)C1O)C=CC=C2)C=3C4=C(C=C(C([O-])=O)C3O)C=CC=C4.CC=1N(C(C)=CC1C=CC2=[N+](C)C3=C(C=C2)C=C(N(C)C)C=C3)C4=CC=CC=C4

Canonical SMILES

O=C([O-])C1=CC=2C=CC=CC2C(=C1O)CC3=C(O)C(=CC=4C=CC=CC43)C(=O)[O-].C=1C=CC(=CC1)N2C(=CC(C=CC3=CC=C4C=C(C=CC4=[N+]3C)N(C)C)=C2C)C

Other Names for this Substance

  • 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]

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Deleted or Replaced CAS Registry Numbers

7491-56-7, 54366-18-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration