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20562-02-1生产厂家

20562-02-1价格

20562-02-1

20562-02-1结构式
20562-02-1结构式

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中文名 A-茄碱
英文名 solanine
中文别名 α-茄啶
英文别名 SOLATUNINE
β-D-Galactopyranoside, (3β)-solanid-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]-
MFCD00077873
alpha-Solanine
α-SOLANINE
Solanine
SOLATUNIN
a-Solanine
(3β)-Solanid-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside
EINECS 243-879-8
描述 α-solanine 是马铃薯中的一种生物活性成分,是主要的甾体类生物碱之一,可抑制癌细胞的生长并诱导其凋亡 (apoptosis)。
相关类别
参考文献

[1]. Lei Wang , et al. Inhibitory Effect of α-Solanine on Esophageal Carcinoma in vitro. Exp Ther Med. 2016 Sep;12(3):1525-1530.

密度 1.4±0.1 g/cm3
沸点 780.78°C (rough estimate)
熔点 285℃ (dec.)
分子式 C45H73NO15
分子量 868.059
精确质量 867.498047
PSA 240.69000
LogP 5.67
外观性状 白色至米白色固体
折射率 1.631
储存条件

充氩密封0ºC以下干燥避光保存。

分子结构

1、 摩尔折射率:219.35

2、 摩尔体积(m3/mol):615.6

3、 等张比容(90.2K):1796.6

4、 表面张力(dyne/cm):72.5

5、 极化率(10-24cm3):86.95

计算化学

1、疏水参数计算参考值(XlogP):1.8

2、氢键供体数量:9

3、氢键受体数量:16

4、可旋转化学键数量:8

5、互变异构体数量:

6、拓扑分子极性表面积(TPSA):241

7、重原子数量:61

8、表面电荷:0

9、复杂度:1590

10、同位素原子数量:0

11、确定原子立构中心数量:25

12、不确定原子立构中心数量:1

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

更多

1.性状:结晶。

2.密度(g/mL,25/4℃):未确定

3.相对蒸汽密度(g/mL,空气=1):未确定

4.熔点(ºC):286

5.沸点(ºC,常压):未确定

6.沸点(ºC,5.2kPa):未确定

7.折射率:未确定

8.闪点(ºC):未确定

9.比旋光度(º):未确定

10.自燃点或引燃温度(ºC):未确定

11.蒸气压(kPa,25ºC):未确定

12.饱和蒸气压(kPa,60ºC):未确定

13.燃烧热(KJ/mol):未确定

14.临界温度(ºC):未确定

15.临界压力(KPa):未确定

16.油水(辛醇/水)分配系数的对数值:未确定

17.爆炸上限(%,V/V):未确定

18.爆炸下限(%,V/V):未确定

19.溶解性:易溶于热乙醇,几乎不溶于水、乙醚和氯仿。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WF0250000
CHEMICAL NAME :
Solanid-5-ene, 3-beta-((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(be ta-D-glucopyranosyl- (1-3))-beta-D-galactopyranosyl)oxy)-
CAS REGISTRY NUMBER :
20562-02-1
BEILSTEIN REFERENCE NO. :
0077607
LAST UPDATED :
199612
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C45-H73-N-O15
MOLECULAR WEIGHT :
868.19
WISWESSER LINE NOTATION :
T H6 F5 E5 B666 MN SUTJ A1 E1 G1 K1 VO- BT6OTJ EQ F1Q CO- BT6OTJ CQ DQ EQ F1& DO- BT6OTJ CQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
2800 ug/kg
TOXIC EFFECTS :
Behavioral - headache Gastrointestinal - gastritis Nutritional and Gross Metabolic - body temperature increase
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
2941 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 - rat
DOSE/DURATION :
590 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 :
67 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 - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5 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 :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - domestic
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Cardiac - pulse rate increase, without fall in BP Lungs, Thorax, or Respiration - cyanosis
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - domestic
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Cardiac - pulse rate increase, without fall in BP Lungs, Thorax, or Respiration - cyanosis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
80 mg/kg/2D-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
40 mg/kg
SEX/DURATION :
female 5-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
40 mg/kg
SEX/DURATION :
female 5-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
80 mg/kg
SEX/DURATION :
female 5-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
100 mg/kg
SEX/DURATION :
female 7-11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
200 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
330 mg/kg/3D (Continuous)
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 33,191,1995 *** REVIEWS *** TOXICOLOGY REVIEW FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,61,1979

符号 GHS07
GHS07
信号词 Warning
危害声明 H302
个人防护装备 dust mask type N95 (US);Eyeshields;Gloves
危害码 (欧洲) Xn: Harmful;
风险声明 (欧洲) 22
安全声明 (欧洲) S1;S25;S45
危险品运输编码 UN 1544
WGK德国 3
RTECS号 WF0250000
包装等级 III
危险类别 6.1(b)