2-(4-(Tert-Butyl)-2,6-Dimethylbenzyl)-4,5-Dihydro-1H-Imidazole Hydrochloride 2-(4-(叔丁基)-2,6-二甲基苄基)-4,5-二氢-1H-咪唑盐酸盐

CAS 1218-35-5 MFCD00238707

化学结构图

1218-35-5
SMILES: Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl

化学属性

Mol. FormulaC16H25ClN2
Mol. Weight280.84
SolubilityDMSO 27 mg/mL Water 56 mg/mL Ethanol 56 mg/mL
Melting Point131-133 °C

别名和识别编码

Chemical Name2-(4-(Tert-Butyl)-2,6-Dimethylbenzyl)-4,5-Dihydro-1H-Imidazole Hydrochloride
CAS Number1218-35-5
Synonym Xylometazoline (hydrochloride) {LY} Xylometazoline (hydrochloride) {} {LY} Xylometazoline (hydrochloride) {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {} {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {} {} {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {} {} {} {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {} {} {} {} {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {} {} {} {} {} {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Xylometazoline (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} X
MDL NumberMFCD00238707
PubChem Substance ID5282386
EC Number214-936-4
Reaxys-RN5164576
Merck Number10086
Chemical Name Translation2-(4-(叔丁基)-2,6-二甲基苄基)-4,5-二氢-1H-咪唑盐酸盐
Beilstein Registry Number5164576
LabNetwork Molecule IDLN00196831
InChIInChI=1S/C16H24N2.ClH/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15;/h8-9H,6-7,10H2,1-5H3,(H,17,18);1H
Canonical SMILESCC1=C(CC2=NCCN2)C(C)=CC(C(C)(C)C)=C1.Cl
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分类

  • {SNA} Adrenergics, Agonists, Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Neuroscience, Neurotransmission, Neurotransmitters, Novartis, X
  • Heterocycles
  • {SNA} Adrenergics, Agonists,

产品应用

  • Vasoconstrictor, used as a nasal decongestant.

相关文献及参考

  • [2]. Haenisch, B., et al., Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol, 2010. 24(6): p. 729-39.
  • Fliri, A., et al.: J. Med. Chem., 52, 8038 (2009),
  • Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2010),
  • [1]. Eccles, R., et al., The nasal decongestant effect of xylometazoline in the common cold. Am J Rhinol, 2008. 22(5): p. 491-6.
  • [1]. Eccles, R., et al., The nasal decongestant effect of xylometazoline in the common cold. Am J Rhinol, 2008. 22(5): p. 491-6.
  • [2]. Haenisch, B., et al., Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol, 2010. 24(6): p. 729-39.

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P301+P310
  • P301+P310+P330
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
RTECSNJ2390000
Signal word Danger
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes 6.1 Xn
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Packing GroupIII
UN Number 2811 UN 2811 6.1/PG 3
Storage condition 2-8°C, sealed storage, away from moisture {LY} 2-8°C, sealed storage, away from moisture {} {LY} 2-8°C, sealed storage, away from moisture {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, seal
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 75 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 5,555,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 43 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 5,555,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECI

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 12500 ug/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 5,555,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 53 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 5,555,1971

其他信息

  • Sigma Aldrich:1218-35-5(sigmaaldrich)
  • MOL 文件:1218-35-5.mol
  • 用途一:为α-肾上腺素配位体激动药，具有收缩血管作用。
  • 盐酸赛洛唑啉价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 X0063 盐酸赛洛唑啉 Xylometazoline Hydrochloride 5G 1020元 2014/06/02 X0063 盐酸赛洛唑啉 Xylometazoline Hydrochloride 1G 391元
  • Xylometazoline hydrochloride

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Approved Therapeutics/Drug Candidates - Cell Signaling and Neuroscience
  5. Novartis - Approved Therapeutics/Drug Candidates
  1. Functional Group 官能团索引
  2. carboxylic acid amidine
  1. Medical Research Areas
  2. GPCR & G Protein
  3. Adrenergic Receptor  (肾上腺素能受体)

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