CAS 579-56-6 MFCD00058069-4-(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 TAO{mole}

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

SMILES: CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl

化学属性

Mol. Formula	C18H24ClNO3
Mol. Weight	337.84
Melting Point	203-204 °C

别名和识别编码

Chemical Name	4-(1-Hydroxy-2-((1-phenoxypropan-2-yl)amino)propyl)phenol hydrochloride
MDL Number	MFCD00058069
CAS Number	579-56-6
PubChem Substance ID	11368
EC Number	209-443-6
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 Translation	4-(1-羟基-2-((1-苯氧基丙烷-2-基)氨基)丙基)苯酚盐酸盐
Wiswesser Line Notation	QR DYQY1&MY1&1OR &GH
LabNetwork Molecule ID	LN01307031
InChI	InChI=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 SMILES	OC(C(NC(C)COC1=CC=CC=C1)C)C2=CC=C(O)C=C2.[H]Cl

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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)