(+)-假木贼碱盐酸盐

(+)-假木贼碱盐酸盐 基本信息
CAS号 53912-89-3 分子式 C10H15ClN2
分子量 198.69200 精确质量 　198.09200
PSA 　24.92000 LogP 　3.02700
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等价的CAS号：

15251-47-5,31945-06-9,53912-89-3,143924-48-5
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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：
53912-89-3
3D弹球模型：
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分子式：
C10H15ClN2
分子量：
198.69200
中文名称：
(+)-假木贼碱盐酸盐
英文名称：
(S)-1,2,3,4,5,6-Hexahydro-[2,3']bipyridinyl hydrochloride
中文别名：
(+)-假木贼碱盐酸盐
英文别名：
(S)-1,2,3,4,5,6-Hexahydro-[2,3']bipyridinyl hydrochloride;
Gamibasin;
Anabasine monohydrochloride;
Anabasin hydrochloride;
Anabaside hydrochloride;
Anabasin chloride;
anabasine hydrochloride
精确分子量/精确质量：
198.09200
极性分子表面积/PSA：
24.92000
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: VTMZQNZVYCJLGG-UHFFFAOYSA-N

物化性质展开↓

外观与性状：
白色至灰白色固体
密度：
1.014g/cm3
沸点：
271ºC at 760mmHg
闪点：
93.3ºC

合成路线查看所有的合成路线

  • 121675-95-4

    (2R,3S,4S,5R,6R)-2-((pivaloyloxy)methyl)-6-((S)-2-(pyridin-3-yl)piperidin-1-yl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate)

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    ~94%

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    (+)-假木贼碱盐酸盐

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    ~40%

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    (+)-假木贼碱盐酸盐

  • 121675-95-4

    (2R,3S,4S,5R,6R)-2-((pivaloyloxy)methyl)-6-((S)-2-(pyridin-3-yl)piperidin-1-yl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate)

  • →

  • 53912-89-3

    (+)-假木贼碱盐酸盐

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT7373000
CHEMICAL NAME :
Pyridine, 3-(2-piperidinyl)-, monohydrochloride, (S)-
CAS REGISTRY NUMBER :
53912-89-3
LAST UPDATED :
199403
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C10-H14-N2.Cl-H
MOLECULAR WEIGHT :
198.72

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 :
235 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 14,407,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
39500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 14,407,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
34100 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 14,407,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
24200 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 14,407,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
23 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 14,407,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5180 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 14,407,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
39 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 11,30,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
247 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 14,407,1989 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
15 mg/kg
SEX/DURATION :
female 4 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 45(1),87,1982 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.5 mg/m3 JAN 1993

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