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Pyrvinium Pamoate

CAT: 0572-TRC-P999010-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P999010-1GSize:1 g
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CAS Number
3546-41-6
Synonyms
Pyrvinium Pamoate; 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); Bis[6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)vinyl]-1-methylquinolinium] 4,4'-methylenebis[3-hydroxy-2-naphthoate] (6CI,7CI); 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) (9CI); 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) (8CI); 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] (9CI); 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] (8CI); 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; Alnoxin; Altolat; Molevac; NSC 223622; Neo-Oxypaat; Pamovin; Poquil; Povan; Povanil; Povanyl; Pyrcon; Pyrvinium embonate; Pyrvinium pamoate; Tolapin; Tru; Vanquin; Vermitibier; Viprynium embonate
Hazard Statement
No Data Available
Smiles
CN(C)c1ccc2c(ccc(\C=C\c3cc(C)n(c3C)c4ccccc4)[n+]2C)c1.CN(C)c5ccc6c(ccc(\C=C\c7cc(C)n(c7C)c8ccccc8)[n+]6C)c5.Oc9c(Cc%10c(O)c(cc%11ccccc%10%11)C(=O)[O-])c%12ccccc%12cc9C(=O)[O-]
Molecular Formula
2 C26 H28 N3 . C23 H14 O6
Molecular Weight
1151.39
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
Additionnal Information
IUPAC name: 4-[(3-carboxylato-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate;2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine
Shipping Conditions
Room Temperature

Chemical Information

Pyrvinium Pamoate

Pyrvinium pamoate is a naphthoic acid. It has a role as an anticoronaviral agent.

CAS Number3546-41-6
PubChem CID54680693
IUPAC Name3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate;bis(2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine)
Molecular FormulaC75H70N6O6
Molecular Weight1151.4
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count87
Formal Charge0
Complexity1120
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-]
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
InChIKey
OOPDAHSJBRZRPH-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Pyrvinium Pamoate
CAS: 3546-41-6
CID: 54680693
Formula: C75H70N6O6
MW: 1151.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1151.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass1150.53568397
Monoisotopic Mass1150.53568397
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
Compound Is CanonicalizedYes

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