美吡拉敏

美吡拉敏 基本信息
CAS号 91-84-9 分子式 C17H23N3O
分子量 285.39151 精确质量 　285.18411
PSA 　28.60000 LogP 　2.65840
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目录
基本信息 物化性质 合成路线 毒性 结构与计算数据 上下游

基本信息 展开↓

CAS号：
91-84-9
3D弹球模型：
立即前往扯扯看
分子式：
C17H23N3O
分子量：
285.39151
中文名称：
美吡拉敏
英文名称：
1,2-Ethanediamine, N1-[(4-methoxyphenyl)methyl]-N2,N2-dimethyl-N1-2-pyridinyl-
中文别名：
美吡拉敏
英文别名：
1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl- (9CI);
Pyridine, 2-[[2-(dimethylamino)ethyl](p-methoxybenzyl)amino]- (7CI,8CI);
N1-[(4-Methoxyphenyl)methyl]-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine;
1,2-Ethanediamine N1-[(4-methoxyphenyl)methyl]-N2,N2-dimethyl-N1-2-pyridinyl-;
2-[(2-Dimethylaminoethyl)(p-methoxybenzyl)amino]pyridine;
Afko-Hist;
Anhistabs;
Anhistol;
Antalergan;
Antallergan;
Anthisan;
Copsamine;
Coradon;
Dipane;
Dorantamin;
Harvamine;
Histacap;
Histasan;
Isamin;
Kriptin;
Maranhist;
Mepyramine;
Mepyren;
N-p-Methoxybenzyl-N',N'-dimethyl-N-α-pyridylethylenediamine;
NSC 13136;
Neo-Bridal;
Neoantergan;
Nyscaps;
Pyra;
Pyranisamine;
Pyrilamine;
RP 2786;
Statomin;
Wait's green mountain antihistamine
精确分子量/精确质量：
285.18411
极性分子表面积/PSA：
28.60000
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：
202-102-2
InChI：
The Key: YECBIJXISLIIDS-UHFFFAOYSA-N

物化性质展开↓

沸点：
201ºC at 5 MM HG

合成路线查看所有的合成路线

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT0875000
CHEMICAL NAME :
Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-
CAS REGISTRY NUMBER :
91-84-9
BEILSTEIN REFERENCE NO. :
0269019
LAST UPDATED :
199701
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C17-H23-N3-O
MOLECULAR WEIGHT :
285.43
WISWESSER LINE NOTATION :
T6NJ DN1R DO1&2N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
OPHTAD Ophtalmologica. (S. Karger Pub., Inc., 79 Fifth Ave., New York, NY 10003) V.96- 1978- Volume(issue)/page/year: 143,154,1962
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,573,1982 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Human
DOSE/DURATION :
714 ug/kg
TOXIC EFFECTS :
Behavioral - sleep Behavioral - somnolence (general depressed activity) Behavioral - muscle contraction or spasticity
REFERENCE :
JOALAS Journal of Allergy. (St. Louis, MO) V.1-47, 1929-71. For publisher information, see JACIBY. Volume(issue)/page/year: 19,313,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
950 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 160,4,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
220 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 26,1203,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
107 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,1723,1975
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 :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 26,1203,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 7,131,1957 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
350 mg/kg
SEX/DURATION :
female 10-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
JPHYA7 Journal of Physiology. (Cambridge Univ. Press, 32 E. 57th St., New York, NY 10022) V.1- 1878- Volume(issue)/page/year: 164,138,1962
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
50 mg/kg
SEX/DURATION :
female 5 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 - Effects on Newborn - stillbirth
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 100,555,1959 *** REVIEWS *** TOXICOLOGY REVIEW JRPMAP Journal of Reproductive Medicine. (2 Jacklynn Ct., St. Louis, MO 63132) V.3- 1969- Volume(issue)/page/year: 12,27,1974

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积:28.6

7.重原子数量:21

8.表面电荷:0

9.复杂度:277

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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