N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

• ChemBase编号: 73058
• 分子式: C12H16N2S
• 平均质量: 220.33384
• 单一同位素质量: 220.10341952
• SMILES: c1ccc(c(c1C)NC1=NCCCS1)C
• Canonical SMILES: Cc1cccc(c1NC1=NCCCS1)C
• InChI: InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)
• InChIKey: BPICBUSOMSTKRF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
• IUPAC传统名: xylazine
• 别名: 甲苯噻嗪; Rompun; Xylazine; 2-(2,6-Dimethylphenylamino)-5,6-dihydro-4H-thiazine hydrochloride; Xylazine; 2-[2,6-Dimethylphenylamino]-4H-5,6-dihydroxthiazine; XYLAZINE FREE BASE

登记号

• CAS号: 7361-61-7; 7361-61-7
• EC号: 230-902-1
• MDL号: MFCD00057908
• PubChem SID: 162037978; 24902128
• PubChem CID: 5707

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.2197268
• LogD (pH = 7.4): 3.5036612
• Log P: 3.632714
• 摩尔折射率: 68.8221 cm^3
• 极化性: 25.45402 Å^3
• 极化表面积: 24.39 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 140 -142°C

安全信息

• 保存条件: 0°C; -20°C
• RTECS编号: XJ0776300
• 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; III
• 澳大利亚Hazchem: 2X
• 危险公开号: 25; R:25
• 安全公开号: 45; S:28-29-36/37/39-45
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 154
• 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
• 保存温度: -20°C

产品相关信息

• 纯度: ≥99%
• 成盐信息: Free Based

详细说明

MP Biomedicals - 02158306

Free Base

Selleck Chemicals - S2516

Research Area: Neurological Disease
Biological Activity:
Xylazine HCl is α2 class of adrenergic receptor agonist. As with other α2 agonists, adverse effects include bradycardia, conduction disturbances, and myocardial depression. It is a clonidine analoque. It acts on presynaptic and postsynaptic receptors of the central and peripheral nervous systems as an a 2-adrenergic agonist. It is used primarily for sedation, anesthesia, analgesia and muscle relaxation but it has numerous other pharmacological effects. Most of these effects consist of bradycardia and hypotension. It inhibits the effects of postganglionic nerve stimulation. [1]References on Xylazine HCl[1] http://en.wikipedia.org/wiki/Xylazine, ,

Sigma Aldrich - X1126

Biochem/physiol Actions
α2-adrenoceptor agonist, sedative, muscle relaxant.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. X1126.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

参考文献

• http://en.wikipedia.org/wiki/Xylazine