1-methyl-2-[2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine; 2-hydroxypropane-1,2,3-tricarboxylic acid

• ChemBase编号: 155355
• 分子式: C17H22N2O7S
• 平均质量: 398.43078
• 单一同位素质量: 398.11477205
• SMILES: CN1CCCN=C1/C=C/c1cccs1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• Canonical SMILES: CN1CCCN=C1/C=C/c1cccs1.OC(=O)CC(C(=O)O)(CC(=O)O)O
• InChI: InChI=1S/C11H14N2S.C6H8O7/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4-6,9H,3,7-8H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: YJGGCARNRYGSPA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-2-[2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine; 2-hydroxypropane-1,2,3-tricarboxylic acid
• IUPAC传统名: citro; pyrantel
• 别名: 1-Methyl-2-(2-[2-thienyl]ethenyl)-1,4,5,6-tetrahydropyrimidine; Pyrantel citrate salt

登记号

• CAS号: 5685-86-9
• EC号: 227-154-3
• MDL号: MFCD00079269
• PubChem SID: 162249493
• PubChem CID: 6436405

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.45122287
• LogD (pH = 7.4): -0.40053108
• Log P: 1.9635495
• 摩尔折射率: 61.8136 cm^3
• 极化性: 22.833937 Å^3
• 极化表面积: 15.6 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

安全信息

• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 23/24/25-36
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H311-H319-H331
• GHS警示性声明: P261-P280-P301 + P310-P305 + P351 + P338-P311
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

产品相关信息

• Empirical Formula (Hill Notation): C11H14N2S · C6H8O7

详细说明

Sigma Aldrich - P7549

Application
Pyrantel is an antinematodal thiophene. It is commonly used by veterinarians to treat and prevent intestinal parasites in small animals. It has been used to phenotypically characterize Ancylostoma caninum isolates1 and is used to distinguish cholinergic receptor subtypes in Ascaris muscle2.
Biochem/physiol Actions
Pyrantel is a nematode muscle cell-associated nicotinic agonist for the acetylcholine (ACh) receptor. Cholinesterase inhibitor.
Pyrantel is a nematode muscle cell-associated nicotinic agonist for the acetylcholine (ACh) receptor. This is a cholinesterase inhibitor. It causes muscle paralysis in parasitic worms due to prolonged activation of the excitatory nicotinic acetylcholine (nACh) receptors.