(2R,3R)-2,3-dihydroxybutanedioic acid; 1-methyl-2-[(E)-2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine

• ChemBase编号: 133130
• 分子式: C15H20N2O6S
• 平均质量: 356.3941
• 单一同位素质量: 356.10420737
• SMILES: CN1CCCN=C1/C=C/c1cccs1.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
• Canonical SMILES: OC(=O)[C@@H]([C@H](C(=O)O)O)O.CN1CCCN=C1/C=C/c1cccs1
• InChI: InChI=1S/C11H14N2S.C4H6O6/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10;5-1(3(7)8)2(6)4(9)10/h2,4-6,9H,3,7-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/b6-5+;/t;1-,2-/m.1/s1
• InChIKey: VWRCYAZJKNPEQR-NIEARKAZSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R)-2,3-dihydroxybutanedioic acid; 1-methyl-2-[(E)-2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine
• IUPAC传统名: L(+)-tartaric acid; pyrantel
• 别名: 1-Methyl-2-(2-[2-thienyl]ethenyl)-1,4,5,6-tetrahydropyrimidine; Pyrantel (+)-tartrate salt; Pyrantel tartrate salt

登记号

• CAS号: 33401-94-4
• EC号: 251-501-8
• MDL号: MFCD00216022
• PubChem SID: 162227407
• PubChem CID: 6434144

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: 5
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: UW0249000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 25
• 安全公开号: 45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301
• GHS警示性声明: P301 + P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: 95+%

详细说明

Sigma Aldrich - P7674

Application
Pyrantel is used to study neuronal nicotinic receptors and has been is used to treat parasiticinfections in livestock1. Pyrantel tartrate salt is used to study allosteric modulation of the neuronal nicotinic acetylcholine receptors (nAChRs)2.
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 spastic muscle paralysis in parasitic worms due to prolonged activation of the excitatory nicotinic acetylcholine (nACh) receptors.