4-(1-Hydroxy-2-((1-phenoxypropan-2-yl)amino)propyl)phenol hydrochloride 4-(1-羟基-2-((1-苯氧基丙烷-2-基)氨基)丙基)苯酚盐酸盐

CAS 579-56-6 MFCD00058069

化学结构图

579-56-6
SMILES: CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl

化学属性

Mol. FormulaC18H24ClNO3
Mol. Weight337.84
Melting Point203-204 °C

别名和识别编码

Chemical Name4-(1-Hydroxy-2-((1-phenoxypropan-2-yl)amino)propyl)phenol hydrochloride
MDL NumberMFCD00058069
CAS Number579-56-6
PubChem Substance ID11368
EC Number209-443-6
Synonym Isoxsuprine hydrochloride {LY} Isoxsuprine hydrochloride {} {LY} Isoxsuprine hydrochloride {} {} {LY} Isoxsuprine hydrochloride {} {} {} {LY} Isoxsuprine hydrochloride {} {} {} {} {LY} Isoxsuprine hydrochloride {} {} {} {} {} {LY} Isoxsuprine hydrochloride {} {} {} {} {} {} {LY} Isoxsuprine hydrochloride {} {} {} {} {} {} {} {LY} Isoxsuprine hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoxsuprine hydrochloride {} {} {} {} {} {} {} {} {} {LY} Isoxsuprine hydrochloride {} {} {} {} {} {} {} {} {} {} {LY} Isoxsuprine hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoxsuprine hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoxsuprine hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoxsuprine hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoxsuprine hydrochloride {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation4-(1-羟基-2-((1-苯氧基丙烷-2-基)氨基)丙基)苯酚盐酸盐
Wiswesser Line NotationQR DYQY1&MY1&1OR &GH
LabNetwork Molecule IDLN01307031
InChIInChI=1S/C18H23NO3.ClH/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15;/h3-11,13-14,18-21H,12H2,1-2H3;1H
Canonical SMILESOC(C(NC(C)COC1=CC=CC=C1)C)C2=CC=C(O)C=C2.[H]Cl
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分类

  • {SNA} Analytical Standards, Chromatography, EP Standards,
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chromatography, Drugs & Metabolites, Forensic and Veterinary Standards, I, Neat Compounds
  • {SNA} Anal
  • {SNA} Additional Standards, Analytical Standards, Cardiac Drug Standards, Chromatography, Drugs & Metabolites, Forensic and Veterinary Standards, Neat Compounds, Pharmaceuticals, Illicit Drugs & Alcohol, 分析/色谱
  • {SA} Alphabetic, Analyti
  • {SNA} Analytical Standards, EP Standards, EP Standards I - K, Pharmacopeia Metrological Institutes Standards, 分析/色谱

相关文献及参考

  • [2]. Kretschy N, et al. In vitro inhibition of breast cancer spheroid-induced lymphendothelial defects resembling intravasation into the lymphatic vasculature by acetohexamide, isoxsuprine, nifedipin and proadifen. Br J Cancer. 2013 Feb 19;108(3):570-8.
  • [3]. Hill JW, et al. Identification of isoxsuprine hydrochloride as a neuroprotectant in ischemic stroke through cell-based high-throughput screening. PLoS One. 2014 May 7;9(5):e96761.
  • [1]. Falkay G, et al. Affinity of tocolytic agents on human placental and myometrial beta-adrenergic receptors. J Perinat Med. 1986;14(2):109-13.
  • [1]. Falkay G, et al. Affinity of tocolytic agents on human placental and myometrial beta-adrenergic receptors. J Perinat Med. 1986;14(2):109-13.
  • [2]. Kretschy N, et al. In vitro inhibition of breast cancer spheroid-induced lymphendothelial defects resembling intravasation into the lymphatic vasculature by acetohexamide, isoxsuprine, nifedipin and proadifen. Br J Cancer

安全信息

GHS Symbol
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
Hazard statements
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H302 Harmful if swallowed 吞食有害
WGK Germany3
Signal word Warning
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Hazard Codes Xn,N Xn
Risk Statements
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R50 Very toxic to aquatic organisms 对水生生物极毒
  • R22 Harmful if swallowed 吞咽有害
RTECSDO8225000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSER

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 143 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   1,579,1959

{h

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 57 mg/kg
TOXIC EFFECTS :
   Behavioral - ataxia
   Cardiac - change in rate
   Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   1,579,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 185 mg/kg
TOXIC EFFECTS :
   Behavioral - excitement
   Lungs, Thorax, or Respiration - respiratory depression
   Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   1,579,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : >1200 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - nausea or vomiting
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St.,

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 4400 ug/kg/3H
SEX/DURATION            : female 21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - hepatobiliary system
   Reproductive - Specific Developmental Abnormalities - endocrine system
REFERENCE :
   JPEMAO Journal of Perinatal Medicine.  (Walter de Gruyter, Inc., 200 Saw
   Mill River Rd., Hawthorne, NY 10532)  V.1-    1973- Volume(issue)/page/year:
   9,293,1981

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, sealed sto

其他信息

  • MOL 文件:579-56-6.mol
  • Sigma Aldrich:579-56-6(sigmaaldrich)

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. I - Alphabetic
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Forensic and Veterinary Standards - Chromatography
  5. Drugs & Metabolites - Forensic and Veterinary Standards
  6. Neat Compounds - Drugs & Metabolites
  1. Medical Research Areas
  2. GPCR & G Protein
  3. Adrenergic Receptor  (肾上腺素能受体)

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