CAS No.22204-24-6,Pyrantel pamoate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	22204-24-6
Name:	Pyrantel pamoate

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

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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.