盐酸苯乙福明

盐酸苯乙福明 基本信息
CAS号 834-28-6 分子式 C10H16ClN5
分子量 241.72100 精确质量  241.10900
PSA  97.78000 LogP  2.72010

等价的CAS号:

834-28-6,3493-37-6,78445-32-6

基本信息 展开↓

CAS号:
834-28-6
3D弹球模型:
立即前往扯扯看
分子式:
C10H16ClN5
分子量:
241.72100
中文名称:
盐酸苯乙福明
英文名称:
Phenformin hydrochloride
中文别名:
盐酸苯乙福明;
苯乙双胍盐酸盐;
降糖灵;
盐酸苯乙双胍;
1-(2-苯乙基)双胍盐酸盐;
酸苯乙双胍
英文别名:
Phenformin hydrochloride;
Insora;
PhenforMin HCl API;
Glucopostin;
Phenformine HCL;
Phenformin (hydrochloride);
dbi-td;
usafvi-6;
meltrol;
phenforminhclno.9113;
PHENFORMIN HCL;
Phenformin HCl
精确分子量/精确质量:
241.10900
极性分子表面积/PSA:
97.78000
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。
EINECS:
212-637-3
InChI:
InChI=1/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H

生产制备方法及用途展开↓

制备方法


用作降血糖药

用途简介


物化性质展开↓

外观与性状:
白色粉末
密度:
1.24 g/cm3
熔点:
175-178ºC
沸点:
413.7ºC at 760 mmHg
闪点:
204ºC
水溶解性:
>=10 g/100 mL at 21℃

安全信息展开↓

海关代码:
2942000000
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22
安全说明:
S36
RTECS号:
DU2200000
危险标志:
Xn:Harmful

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DU2200000
CHEMICAL NAME :
Biguanide, 1-phenethyl-, monohydrochloride
CAS REGISTRY NUMBER :
834-28-6
LAST UPDATED :
199706
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C10-H15-N5.Cl-H
MOLECULAR WEIGHT :
241.76
WISWESSER LINE NOTATION :
MUYZMYUM&M2R &GH

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 :
938 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
17500 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory depression
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
407 mg/kg
TOXIC EFFECTS :
Endocrine - hypoglycemia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
17800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
47 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
19 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Rodent - rat Liver
DOSE/DURATION :
1 mmol/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 24,181,1994

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:4

3.氢键受体数量:1

4.可旋转化学键数量:4

5.互变异构体数量:5

6.拓扑分子极性表面积:103

7.重原子数量:16

8.表面电荷:0

9.复杂度:236

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:2

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