匹美噻吨

匹美噻吨 基本信息
CAS号 314-03-4 分子式 C19H19NS
分子量 293.42600 精确质量 　293.12400
PSA 　28.54000 LogP 　4.61660
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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：
314-03-4
3D弹球模型：
立即前往扯扯看
分子式：
C19H19NS
分子量：
293.42600
中文名称：
匹美噻吨
英文名称：
pimethixene
中文别名：
匹美噻吨
英文别名：
pimethixene;
Calmixene;
10-(1-methyl-4-piperidylidene)dibenzo[b,e]thiane;
1-methyl-4-(9H-thioxanthen-9-ylidene)-piperidine;
1-methyl-4-thioxanthen-9-ylidene-piperidine;
Calmixen;
9-(N-methyl-piperidyliden-4-yl)-thioxanthene;
9-(N-methyl-piperidyliden-4)-thioxanthene
精确分子量/精确质量：
293.12400
极性分子表面积/PSA：
28.54000
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。
EINECS：
206-240-4
InChI：
The Key: NZLVRVYNQYGMAB-UHFFFAOYSA-N

物化性质展开↓

密度：
1.192g/cm3
沸点：
439.7ºC at 760mmHg
闪点：
219.7ºC
折射率：
1.661

合成路线查看所有的合成路线

  • 138248-26-7

    138248-26-7

  • →

    ~87%

  • 314-03-4

    匹美噻吨

  • 3967-45-1

    3967-45-1

  • →

    ~64%

  • 121360-49-4

    1-methyl-4-(9H-thioxanthen-9-yl)piperidine

  • +

  • 314-03-4

    匹美噻吨

  • 5570-77-4

    1-甲基-4-氯哌啶

  • →

  • 314-03-4

    匹美噻吨

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TN1575000
CHEMICAL NAME :
Piperidine, 1-methyl-4-thioxanthen-9-ylidene-
CAS REGISTRY NUMBER :
314-03-4
LAST UPDATED :
199707
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C19-H19-N-S
MOLECULAR WEIGHT :
293.45
WISWESSER LINE NOTATION :
T C666 BS IYJ IU- DT6N DYTJ 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 :
550 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: -,62,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
13 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: -,62,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 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: -,62,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
23 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: -,62,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
460 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: -,62,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
18 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: -,62,1972

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