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

• ChemBase编号: 105061
• 分子式: C12H17ClN2S
• 平均质量: 256.79478
• 单一同位素质量: 256.08009723
• SMILES: Cl.Cc1cccc(C)c1NC1=NCCCS1
• Canonical SMILES: Cc1cccc(c1NC1=NCCCS1)C.Cl
• InChI: InChI=1S/C12H16N2S.ClH/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);1H
• InChIKey: QYEFBJRXKKSABU-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 hydrochloride
• IUPAC传统名: xylazine hydrochloride
• 别名: 2-(2,6-二甲基苯基)-5,6-二氢-4H-噻嗪-胺 盐酸盐; 甲苯噻嗪 盐酸盐; 2-(2,6-Dimethylphenylamino)-5,6-dihydro-4H-thiazine hydrochloride; N-(2,6-Dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine Hydrochloride; 5,6-Dihydro-2-(2,6-xylidino)-4H-1,3-thiazine Hydrochloride; 2-(2,6-Dimethylphenylamino)-5,6-dihydro-4H-1,3-thiazine Hydrochloride; BAY-Va 1470; Celactal; Narcosyl; Rompun; Xylapan; Xylasol; 2-[2,6-Dimethylphenylamino]-4H-5,6-dihydroxthiazine; XYLAZINE HYDROCHLORIDE; Xylazine hydrochloride

登记号

• CAS号: 23076-35-9
• EC号: 245-417-0
• MDL号: MFCD00058196
• Beilstein号: 6448471
• PubChem SID: 24277813; 162092249; 24870626
• PubChem CID: 68554

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

• 溶解度: DMSO; Methanol
• 外观: Off-White Solid
• 熔点: 150-164°C (dec.)

安全信息

• 保存条件: -20°C Freezer; Room Temperature (15-30°C)
• RTECS编号: XJ0776350
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2810
• 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: 25-36/37/38
• 安全公开号: 26-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H335
• GHS警示性声明: P261-P301 + P310-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2810 6.1/PG 3
• 保存温度: -20°C; 2-8°C

药理学性质

• 相关基因信息: human ... ADRA2A(150), ADRA2B(151), ADRA2C(152)

产品相关信息

• 纯度: ≥99%
• 级别: VETRANAL™, analytical standard
• Empirical Formula (Hill Notation): C12H16N2S · HCl

详细说明

MP Biomedicals - 02158307

Hydrochloride

Sigma Aldrich - X1251

Biochem/physiol Actions
α2-肾上腺素受体激动剂、镇静剂、肌肉松弛剂。

Sigma Aldrich - 46995

Biochem/physiol Actions
α2-肾上腺素受体激动剂、镇静剂、肌肉松弛剂。
法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - X748000

Xylazine is used as a sedative, analgesic, muscle relaxant.

参考文献

• Hikasa, Y., et al.: J. Pharmacol. Exp. Ther., 261, 746 (1964)
• Arce, V., et al.: Brain Res., 537, 359 (1964)
• Pernikoff, M., et al.: Clin. Med., 71, 699 (1964)
• Burns, M., et al.: Vet. Med., 67, 77 (1964)