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Pyrantel pamoate

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Name

Pyrantel pamoate

EINECS 244-837-1
CAS No. 22204-24-6 Density N/A
PSA 158.90000 LogP 6.26020
Solubility <0.1 g/100 mL at 19 °C in water Melting Point 266-267 °C
Formula C23H16O6.C11H14N2S Boiling Point 642.7 °C at 760 mmHg
Molecular Weight 594.68 Flash Point 356.5 °C
Transport Information N/A Appearance Odorless light yellow to tan crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 22204-24-6 (Pyrantel pamoate) Hazard Symbols N/A
Synonyms

Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[2-(-2-thienyl)ethenyl-, (E)-, with 4,4-methylenebis[3-hydroxy-2-naphthalenecarboxylic acid (1:1);2-Naphthalenecarboxylic acid, 4,4-methylenebis[3-hydroxy-, compd. with (E)-1,4,5, 6-tetrahydro-1-methyl-2-[2-(2-thienyl)ethenyl]pyrimidine (1:1);2-Naphthoic acid, 4,4-methylenebis[3-hydroxy-, compd. with (E)-1,4,5, 6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine (1:1);Heartgard-30 Plus;2-Naphthoic acid, 4,4-methylenebis(3-hydroxy-, compd. with (E)-1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)pyrimidine (1:1);4,4-Methylenebis(3-hydroxy-2-naphthoic) acid, compound with (E)-1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)pyrimidine (1:1);4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine;(E)-1,4,5,6-Tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine 4,4-methylenebis[3-hydroxy-2-naphthoate] (1:1);Antiminth (TN);2-Naphthalenecarboxylic acid, 4,4-methylenebis(3-hydroxy-, compd. with (E)-1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)ethenyl)pyrimidine (1:1);CP-10,423-16;Antiminth;4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine;122157-48-6;Embovin;Combantrin;

 

Pyrantel pamoate Specification

The Pyrantel pamoate, with the CAS registry number 22204-24-6, is also known as 2-Naphthoic acid, 4,4-methylenebis(3-hydroxy-, compd. with (E)-1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)pyrimidine (1:1). It belongs to the product categories of Veterinaries; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 244-837-1. This chemical's molecular formula is C23H16O6·C11H14N2S and molecular weight is 594.68. What's more, its systematic name is 4,4'-Methylenebis(3-hydroxy-2-naphthoic acid) - 1-methyl-2-[(E)-2-(2-thienyl)vinyl]-1,4,5,6-tetrahydropyrimidine (1:1). Its classification codes are: (1)Anthelmintic; (2)Anthelmintics; (3)Anti-Infective Agents; (4)Antinematodal agents; (5)Antiparasitic Agents; (6)Drug / Therapeutic Agent; (7)Mutation data; (8)Reproductive Effect. This chemical is an antiparasitic agent used in the treatment of intestinal parasites such as hookworms and roundworms in domesticated animals such as horses, cattle, sheep, pigs, cats, dogs, and many other species. It is a broad spectrum antinematodal anthelmintic used also in veterinary medicine. It is a combination of pyrantel and pamoic acid. It is also used for pinworm treatment for humans in many brands, and it is also commonly included in monthly administered chewable heartworm preventative tablets for dogs.

Physical properties of Pyrantel pamoate are: (1)ACD/LogP: 6.353; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.20; (5)ACD/BCF (pH 5.5): 2.85; (6)ACD/BCF (pH 7.4): 2.81; (7)ACD/KOC (pH 5.5): 4.90; (8)ACD/KOC (pH 7.4): 4.82; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 71.06 Å2; (13)Flash Point: 356.5 °C; (14)Enthalpy of Vaporization: 99.68 kJ/mol; (15)Boiling Point: 642.7 °C at 760 mmHg; (16)Vapour Pressure: 2.13E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc1c(cccc1)c(c2O)Cc3c4c(cc(C(=O)O)c3O)cccc4.N\2=C(/C=C/c1sccc1)N(C)CCC/2
(2)Std. InChI: InChI=1S/C23H16O6.C11H14N2S/c24-20-16(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;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+
(3)Std. InChIKey: AQXXZDYPVDOQEE-MXDQRGINSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 24gm/kg (24000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 305, 1971.
mouse LD50 intraperitoneal 620mg/kg (620mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 305, 1971.
mouse LDLo subcutaneous 4gm/kg (4000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 305, 1971.
rat LD oral > 24gm/kg (24000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 305, 1971.
rat LD50 intraperitoneal 535mg/kg (535mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 305, 1971.
rat LDLo subcutaneous 6600mg/kg (6600mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 305, 1971.

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