盐酸甲基麻黄碱

盐酸甲基麻黄碱 基本信息
CAS号 38455-90-2 分子式 C11H18ClNO
分子量 215.72000 精确质量  215.10800
PSA  23.47000 LogP  2.47210

等价的CAS号:

942-46-1,4125-59-1,18760-80-0,30891-72-6,38455-90-2,54114-10-2,65326-26-3,69792-63-8

基本信息 展开↓

CAS号:
38455-90-2
3D弹球模型:
立即前往扯扯看
分子式:
C11H18ClNO
分子量:
215.72000
中文名称:
盐酸甲基麻黄碱
英文名称:
L-N-METHYLEPHEDRINE HYDROCHLORIDE
中文别名:
盐酸甲基麻黄碱;
L-N-甲基麻黄素盐酸盐
英文别名:
L-N-METHYLEPHEDRINE HYDROCHLORIDE;
l-methylephedrinehydrochloride;
N-METHYL EPHEDRINE HCL;
METHYLEPHEDRINE HCL;
(1R,2S)-2-dimethylamino-1-phenyl-propan-1-ol,hydrochloride;
(IR,2S)-I-N-Methylephedrine HCL;
(1R,2S)-2-dimethylamino-1-phenylpropanol hydrochloride;
L-Methyl;
L-Methyl ephedrine;
methyf;
(-)-methylephedrinehydrochloride;
(1R,2S)(-)-methylephedrinium chloride;
(1R,2S)-2-Dimethylamino-1-phenyl-propan-1-ol,Hydrochlorid;
n-methylephedrinehydrochloride
精确分子量/精确质量:
215.10800
极性分子表面积/PSA:
23.47000
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:
253-947-9
InChI:
The Key: NTCYWJCEOILKNG-FOKYBFFNSA-N

生产制备方法及用途展开↓

制备方法


平喘药。

用途简介


物化性质展开↓

沸点:
251.3ºC at 760 mmHg
闪点:
96.9ºC

安全信息展开↓

海关代码:
2939490010

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA4795490
CHEMICAL NAME :
Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (R-(R*,S*))-
CAS REGISTRY NUMBER :
38455-90-2
LAST UPDATED :
199312
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C11-H17-N-O.Cl-H
MOLECULAR WEIGHT :
215.75

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
216 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 97,1117,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
699 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 53,638,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
144 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 54,688,1958

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:2

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积:23.5

7.重原子数量:14

8.表面电荷:0

9.复杂度:141

10.同位素原子数量:0

11.确定原子立构中心数量:2

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:2

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