Guaifenesin 愈甘醚

CAS 93-14-1 MFCD00016873

化学结构图

93-14-1
SMILES: COc1ccccc1OCC(O)CO

化学属性

Mol. FormulaC10
Mol. Weight198
Melting Point80-84
TSCAYes
Boiling Point215
SolubilitySoluble in water (50 mg/ml at 25 °C), methanol, DMSO (40 mg/ml at 25 °C), DMF, and ethanol (50 mg/ml).
Flash Point215°C/19mm
Appearance 白色结晶性粉末。熔点78.5-79℃,沸点215℃(2.53kPa)。25℃时1g该品可溶于20ml水,溶于乙醇、氯仿、甘油、二甲基甲酰胺,沿易溶于苯,不溶于石油醚。微苦,稍有特殊气味。

别名和识别编码

Chemical NameGuaifenesin
MDL NumberMFCD00016873
CAS Number93-14-1
Synonym (+/-)-3-(O-METHOXYPHENOXY)-1,2-PROPANEDIOL 3-(2-Methoxyphenoxy)-1,2-propanediol 3-(2-Methoxyphenoxy)-1,2-propanediol; Guaiacol glyceryl ether; Glycerol guaiacolate 3-(2-甲氧基苯氧基)-1,2-丙烷二醇 3-(2-甲氧基苯氧基)-1,2-丙烷二醇, ERYTHRO + THREO, 99+% 3-(2-甲氧基苯氧基)丙烷-1,2-二醇 3-(o-Methoxyp 3-(o-Methoxyphenoxy)-1,2-propanediol 3-(邻甲氧基苯氧基)-1,2-丙二醇 3-(邻甲氧基苯氧基)-1,2-丙二醇 愈甘醚 甘油愈创木酯 3-o-Methoxyphenoxypropane 1:2-diol Cortussin GUAIACOL GLYCEROL ETHER Gaiamar Glycerol guaiacolate Glycerol-alpha-guajakolether Glycerol-alpha-monoguaiacol ether Guaiacurane Guaiacyl glyceryl Guajacol-alpha-glycerinether Oreson Robitussin 愈创木酚甘油醚
PubChem Substance ID87570354
EC Number202-222-5
Merck Number4555
Beilstein Registry Number2049375
Chemical Name Translation愈甘醚
Reaxys-RN3200276
Wiswesser Line NotationQ1YQ1OR BO1
LabNetwork Molecule IDLN00223050
InChIInChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
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分类

  • {SNA} Analytical Standards,
  • {
  • {SNA} Analytical Standards, Pharmacopeia & Metrological Institutes Standards, USP Standards, USP Standards G - H, 分析/色谱
  • {SNA} Building Blocks, C10,
  • {SNA} Analytical Standards, Pharmacopeia Metrological Institutes Standards, USP Standards, USP Standards G - H, 分析/色谱
  • {SNA} Additional Standa
  • {SNA} Analytical Standards, Analytical/Chromatography,

产品应用

  • A compound with expectorant and sedative properties.

安全信息

WGK Germany1
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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+P312+P330
  • P305+P351+P338
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSTY8400000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Hazard Codes Xn
Storage condition 储存温度-20°C
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 495 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
   D.H. Efron, Washington, DC, 1972  Volume(issue)/page/year: -,398,1

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2553 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ATHPAB Applied Therapeutics.  (Seccombe House Unlimited, Toronto, Canada)
   V.2(9)-12, 1960-70.  Volume(issue)/page/year: 9,55,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1510 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Lungs, Thorax, or Respiration - chronic pulmonary edema
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   PLRCAT Pharmacological Research Communications.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1969-  Volume(issue)/page/year:
   1,413,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 pe

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 335 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NYKZAU Nippon Yakurigaku Zasshi.  Japanese Journal of Pharmacology. (Nippon
   Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho,
   Yoshida, Sakyo-ku, Kyoto

其他信息

  • 图谱信息:愈创甘油醚(93-14-1)红外图谱(IR1) 愈创甘油醚(93-14-1)核磁图( 1 HNMR) 愈创甘油醚(93-14-1)质谱(MS) 愈创甘油醚(93-14-1)红外图谱(IR2) 愈创甘油醚(93-14-1)核磁图( 13 CNMR)
  • Acros Organics:愈创木酚甘油醚 3-(2-Methoxyphenoxy)-1,2-propanediol, 99%(93-14-1)
  • 用途一:祛痰镇咳,适用于多痰咳慢性支气管炎、支气管扩张等病症
  • MOL 文件:93-14-1.mol
  • Hazard Note:Harmful
  • Sigma Aldrich:93-14-1(sigmaaldrich)
  • 愈创甘油醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 G0159 愈创甘油醚 Guaiacol Glycerol Ether 500G 1490元 2014/06/02 G0159 愈创甘油醚 Guaiacol Glycerol Ether 25G 263元 2010/06/21 352511000 愈创甘油醚 3-(2-Methoxyphenoxy)-1,2-propanediol 99% 100 GR 909元
  • 下游产品:氧化锌 --> 立德粉 --> 六水合硝酸锌 --> 美索巴莫
  • 镇咳祛痰类非处方药:愈创甘油醚是一种祛痰剂,又称愈甘醚、甲甘苯二醚、愈创木酚甘油醚、甘油愈创木酯,口服后能刺激胃黏膜反射性引起支气管黏膜腺体分泌增加,降低痰的黏性,使黏痰易于咳出。并具有消毒防腐作用,可减少痰液的恶臭味,还具有镇咳、解痉、抗惊厥作用,用于慢性支气管炎的多痰咳嗽、肺脓肿、支气管扩张和继发性哮喘,多与其他镇咳平喘药合用。 愈创甘油醚可从胃肠道吸收,并在1~3小时后达到血药浓度峰值。大部分自肠道排出,少量代谢为葡糖醛酸结合物随尿迅速排出。
  • 方法一:由愈创木酚钠与3-氯丙二醇缩合而得。将氢氧化钠溶液和愈创木酚在40℃配制成酚钠,加入3-氯-1,2-丙二醇,自然升温至95℃,于92-98℃反应3h,静置,分去盐水层,加盐酸酸化至pH为3-5,冷却结晶,甩滤。滤饼用乙醇重结晶,得愈创甘油醚。收率约60%。
  • 用途二:该品为祛痰镇咳药。
  • 上游原料:氢氧化铵 --> 碳酸二乙酯 --> 愈创木酚 --> 3-氯-1,2-丙二醇
  • Guaifenesin 是一种祛痰药。
  • TCI Shanghai:愈创甘油醚 Guaiacol Glycerol Ether,>;98.0%(LC)(E)(93-14-1)
  • 愈创甘油醚
  • Alfa Aesar:3-(2-甲氧基苯氧基)-1,2-丙烷二醇,erythro+threo,99+% 3-(2-Methoxyphenoxy)-1,2-propanediol, 99+%(93-14-1)

系列性分类


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