正离子基二蒎

  • 基本信息
  • 物化性质
  • 毒理性
  • 结构与计算化学
  • 上游产品

正离子基二蒎 基本信息

中文名称:
正离子基二蒎 
中文别名:
正离子基二蒎;
(8β)-2-Bromo-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carbox amide 
英文名称:
Ergoline-8-carboxamide,2-bromo-9,10-didehydro-N,N-diethyl-6-methyl-, (8b)-
英文别名:
(8β)-2-Bromo-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carbox amide;
Bromolysergide;
6-Bromo-3-pyridylmethyl bromide;
2-bromo-lysergide;
2-bromo-5-pyridylmethyl bromide;
2-bromo-6-methyl-9,10-didehydro-ergoline-8-carboxylic acid diethylamide;
2-Brom-lysergsaeurediethylamid;
2-bromo-5-bromoethylpyridine;
2-bromo-5-bromomethylpyridine;
2-bromo-5R,8R-lysergic acid diethyl amide 
CAS No.:
478-84-2
分 子 式:
C20H24BrN3O
分 子 量:
404.40
精确分子量:
401.11000
PSA:
39.34000
InChI:
The Key: VKRAXSZEDRWLAG-UHFFFAOYSA-N
安全术语:
Poison by intraperitoneal and intravenous routes. Experimental teratogenic and reproductive effects. Human systemic effects by ingestion: dilation of the arteries or veins. Many lysergic acid derivatives have central nervous system effects. When heated to decomposition it emits very toxic fumes such as Br− and NOx. See other lysergic acid derivatives.
分子结构式:
SDS:
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正离子基二蒎 物化性质

密度:
1.44g/cm3
沸点:
580.7ºC at 760mmHg
闪点:
305ºC
折射率:
1.676
蒸汽压:
1.77E-13mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥,与食品原料类分开存放

正离子基二蒎 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KE2625000
CHEMICAL NAME :
Ergoline-8-beta-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-6-methyl-
CAS REGISTRY NUMBER :
478-84-2
LAST UPDATED :
199106
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C20-H26-Br-N3-O
MOLECULAR WEIGHT :
404.40
WISWESSER LINE NOTATION :
T C6656 1A P GN LN CUTT&&J EVN2&2 G1 KE L1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
75 ug/kg
TOXIC EFFECTS :
Vascular - regional or general arteriolar or venous dilation
REFERENCE :
PSYPAG Psychopharmacologia (Berlin). (Berlin, Ger.) V.1-46, 1959-76. For publisher information, see PSCHDL. Volume(issue)/page/year: 1,20,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
ANYAA9 Annals of the New York Academy of Sciences. (New York Academy of Sciences, 2 E. 63rd St., New York, NY 10021) V.1- 1877- Volume(issue)/page/year: 66,668,1957 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 158,265,1967
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - homeostasis Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 158,265,1967

正离子基二蒎 分子结构与计算化学数据

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:1

3.氢键受体数量:6

4.可旋转化学键数量:13

5.互变异构体数量:无

6.拓扑分子极性表面积:64

7.重原子数量:34

8.表面电荷:0

9.复杂度:606

10.同位素原子数量:0

11.确定原子立构中心数量:1

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

正离子基二蒎 上游产品

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产品介绍:
产品名称:正离子基二蒎 Cas号:478-84-2 纯度:99% 包装信息:100kg 价格:洽谈
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