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CAS No.: | 22204-24-6 |
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Name: | Pyrantel pamoate |
Molecular Structure: | |
Formula: | C23H16O6.C11H14N2S |
Molecular Weight: | 594.68 |
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; |
EINECS: | 244-837-1 |
Melting Point: | 266-267 °C |
Boiling Point: | 642.7 °C at 760 mmHg |
Flash Point: | 356.5 °C |
Solubility: | <0.1 g/100 mL at 19 °C in water |
Appearance: | Odorless light yellow to tan crystalline powder |
PSA: | 158.90000 |
LogP: | 6.26020 |
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. |