麦角克碱

麦角克碱 基本信息
CAS号 511-09-1 分子式 C32H41N5O5
分子量 575.69800 精确质量  575.31100
PSA  118.21000 LogP  2.63490

等价的CAS号:

511-09-1,511-10-4,106188-95-8

基本信息 展开↓

CAS号:
511-09-1
3D弹球模型:
立即前往扯扯看
分子式:
C32H41N5O5
分子量:
575.69800
中文名称:
麦角克碱
英文名称:
α-ergocryptine
中文别名:
麦角克碱;
麦角脊亭
英文别名:
α-ergocryptine;
alpha-ergocryptine;
12'-hydroxy-5';
α-ERGOCRYPTINE
精确分子量/精确质量:
575.31100
极性分子表面积/PSA:
118.21000
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:
208-121-2
InChI:
The Key: YDOTUXAWKBPQJW-UHFFFAOYSA-N

物化性质展开↓

密度:
1.38g/cm3
熔点:
152-154ºC
沸点:
861.7ºC at 760mmHg
闪点:
475ºC
折射率:
1.68

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
62
危险标志:
Xn

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KE1400000
CHEMICAL NAME :
Ergocryptine
CAS REGISTRY NUMBER :
511-09-1
BEILSTEIN REFERENCE NO. :
0078810
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C32-H41-N5-O5
MOLECULAR WEIGHT :
575.78
WISWESSER LINE NOTATION :
T C6656 1A P GN LM CUTT&&J G1 EVM- DT B565 CO EVN HVNTJ BQ DY1&1 G1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
950 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3752814 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2 mg/kg
SEX/DURATION :
female 4 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 56,691,1979
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1800 ug/kg
SEX/DURATION :
lactating female 3 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Maternal Effects - postpartum
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3752814

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