3-methyl-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-oxazolidin-2-one

3-methyl-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-oxazolidin-2-one 基本信息
CAS号 21820-82-6 分子式 C17H22N2O2
分子量 286.36900 精确质量 　286.16800
PSA 　32.78000 LogP 　2.49220
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等价的CAS号：

21820-82-6,55121-37-4,55121-38-5
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
21820-82-6
3D弹球模型：
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分子式：
C17H22N2O2
分子量：
286.36900
中文名称：
3-methyl-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-oxazolidin-2-one
英文名称：
3-methyl-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-oxazolidin-2-one
中文别名：
3-methyl-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-oxazolidin-2-one
英文别名：
3-methyl-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-oxazolidin-2-one;
Fenpipalona;
2-Oxazolidinone,5-(2-(3,6-dihydro-4-phenyl-1(2H)-pyridyl)ethyl)-3-methyl;
FENPIPALONE;
2-Oxazolidinone,5-(2-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)ethyl)-3-methyl;
AHR-1680;
3-methyl-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]-oxazolidin-2-one;
Fenpipalonum [INN-Latin];
5-(2-(3,6-Dihydro-4-phenyl-1(2H)-pyridyl)ethyl)-3-methyl-2-oxazolidinone;
Fenpipalona [INN-Spanish]
精确分子量/精确质量：
286.16800
极性分子表面积/PSA：
32.78000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: YUORBURTMIUPMW-UHFFFAOYSA-N

物化性质展开↓

密度：
1.127g/cm3
沸点：
486.9ºC at 760mmHg
闪点：
248.3ºC
折射率：
1.557
蒸汽压：
1.24E-09mmHg at 25°C

合成路线查看所有的合成路线

  • 43064-12-6

    1,2,3,6-四氢-4-苯基吡啶盐酸盐

  • +

  • 13999-24-1

    2-Oxazolidinone, 5-(2-chloroethyl)-3-methyl-

  • →

  • 21820-82-6

    3-methyl-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-oxazolidin-2-one

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RQ2625000
CHEMICAL NAME :
2-Oxazolidinone, 5-(2-(3,6-dihydro-4-phenyl-1(2H)-pyridyl)ethyl)-3-met hyl-
CAS REGISTRY NUMBER :
21820-82-6
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C17-H22-N2-O2
MOLECULAR WEIGHT :
286.41
WISWESSER LINE NOTATION :
T6N CUTJ DR& A2- DT5NVOTJ A1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
340 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: -,200,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
140 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: -,200,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
71 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: -,200,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
349 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: -,200,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 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: -,200,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
91 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: -,200,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
300 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: -,200,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
189 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: -,200,1972

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