2,2-(1,2-亚乙)双[5-[4,6-双(苯基氨基)-1,3,5-三嗪-2-基]氨基]苯磺酸二钠盐

CHEMICAL IDENTIFICATION

RTECS NUMBER :

WJ6205000

CHEMICAL NAME :

2,2'-Stilbenedisulfonic acid, 4,4'-bis((4,6-dianilino-s-triazin-2-yl)amino)-, disodium salt

CAS REGISTRY NUMBER :

133-66-4

LAST UPDATED :

199701

DATA ITEMS CITED :

6

MOLECULAR FORMULA :

C44-H36-N12-O6-S2.2Na

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 :

>10 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 5,176,1963

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1090 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - muscle contraction or spasticity

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(1),85,1984

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

>10 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 5,176,1963

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

>7 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 5,176,1963 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

42 gm/kg/30D-I

TOXIC EFFECTS :

Endocrine - changes in adrenal weight Blood - change in clotting factors Blood - changes in leukocyte (WBC) count

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(1),85,1984

毒理学数据：

口服-大鼠 LD50: >10000 毫克/公斤; 腹腔-大鼠 LD50: 1090 毫克/公斤。

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:6

3.氢键受体数量:18

4.可旋转化学键数量:14

5.互变异构体数量:105

6.拓扑分子极性表面积281

7.重原子数量:66

8.表面电荷:0

9.复杂度:1460

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:1

14.不确定化学键立构中心数量:0

15.共价键单元数量:3