Compound Summary
Compound Information
Pyrvinium pamoate
Compound Name: | Pyrvinium pamoate |
Compound CID: | 54680693 |
Synonyms: | Pyrvinium pamoate 3546-41-6 Pyrvinium embonate Pyrvinium pamoate salt hydrate Vermitibier More... |
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 |
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 |
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 |
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-] |
Molecular Weight: | 1151.4 |
Molecular Formula: | C75H70N6O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Pyrvinium pamoate
Molecular Weight: | 1151.4 |
Molecular Formula: | C75H70N6O6 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 12 |
Heavy Atom Count: | 87 |
Complexity: | 1120 |
Synonyms
Pyrvinium pamoate
| Pyrvinium pamoate | Pyrvinium pamoate |
|---|---|
Pyrvinium pamoate |
3546-41-6 |
Pyrvinium embonate |
Pyrvinium pamoate salt hydrate |
Vermitibier |
Vanquil |
NCGC00017042-01 |
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 |
Vipyrvinium embonate |
CAS-3546-41-6 |
Dipyrivinium Pamoate |
Povan (TN) |
DSSTox_CID_3545 |
DSSTox_RID_77072 |
DSSTox_GSID_23545 |
SCHEMBL62130 |
Pyrvinium pamoate (JAN/USP) |
AMY391 |
CHEBI:8688 |
CHEMBL1908377 |
DTXSID4023545 |
C75H70N6O6 |
EX-A4867 |
HY-A0293 |
Tox21_110753 |
BDBM50198749 |
MFCD00010090 |
AKOS037645075 |
CS-6311 |
AS-56860 |
X7305 |
D00489 |
SR-01000872694 |
SR-01000872694-1 |
(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) |
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 |
6-(Dimethylamino)-2-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl-1-methyl-4,4-methylenebis3-hydroxy-2-naphthalenecarboxylate (2:1)-quinolinium" |
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)" |
Experimental Data
Pyrvinium pamoate
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 5 | umol/L | 0 | S | N2 | 32735859 | Active | ||||||
| Caenorhabditis elegans | 20 | umol/L | 0 | NS | N2 | 32735859 | Inactive | ||||||
| Caenorhabditis elegans | 2.5 | umol/L | 0 | S | N2 | 32735859 | Active | ||||||
| Caenorhabditis elegans | 10 | umol/L | 0 | NS | N2 | 32735859 | Inactive |
Experimental Data Visualization
Pyrvinium pamoate
Statistics Data
Pyrvinium pamoate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 4 |
Statistics Data Visualization
Pyrvinium pamoate
