氟氢可的松

外观与性状：

白色固体

密度：

1.3g/cm3

熔点：

208-212ºC

沸点：

575.1ºC at 760 mmHg

闪点：

301.6ºC

折射率：

1.563

蒸汽压：

1.27E-15mmHg at 25°C

其它信息：

1.熔点（℃）：208-212。

海关代码：

2937210000

CHEMICAL IDENTIFICATION

RTECS NUMBER :

TU5025000

CHEMICAL NAME :

Pregn-4-ene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-

CAS REGISTRY NUMBER :

127-31-1

BEILSTEIN REFERENCE NO. :

3014278

LAST UPDATED :

199710

DATA ITEMS CITED :

6

MOLECULAR FORMULA :

C21-H29-F-O5

MOLECULAR WEIGHT :

380.50

WISWESSER LINE NOTATION :

L E5 B666 OV MUTJ A1 BF CQ E1 FV1Q FQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

170 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada) ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Parenteral

DOSE :

8750 ug/kg

SEX/DURATION :

female 7 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Maternal Effects - uterus, cervix, vagina

REFERENCE :

JEMEAV Journal of Experimental Medicine. (Rockefeller Univ. Press, 1230 York Ave., New York, NY 10021) V.1- 1896- Volume(issue)/page/year: 102,347,1955

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

100 mg/kg

SEX/DURATION :

female 6-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

REFERENCE :

28QFAD "Laboratory Animals in Drug Testing, Symposium of the 5th International Committee on Laboratory Animals, Hanover, 1972," Speigel, A. ed., Stuttgart, Fed. Rep. Ger., Gustav Fischer Verlag, 1973 Volume(issue)/page/year: -,85,1973

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

1 mg/kg

SEX/DURATION :

female 13-16 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetal death

REFERENCE :

28QFAD "Laboratory Animals in Drug Testing, Symposium of the 5th International Committee on Laboratory Animals, Hanover, 1972," Speigel, A. ed., Stuttgart, Fed. Rep. Ger., Gustav Fischer Verlag, 1973 Volume(issue)/page/year: -,85,1973

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

2 mg/kg

SEX/DURATION :

female 13-16 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

REFERENCE :

28QFAD "Laboratory Animals in Drug Testing, Symposium of the 5th International Committee on Laboratory Animals, Hanover, 1972," Speigel, A. ed., Stuttgart, Fed. Rep. Ger., Gustav Fischer Verlag, 1973 Volume(issue)/page/year: -,85,1973

分子结构数据

1、  摩尔折射率：95.72

2、  摩尔体积（cm³/mol）：286.1

3、  等张比容（90.2K）：786.7

4、  表面张力（dyne/cm）：57.1

5、  极化率（10-24cm3）：37.94

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:3

3.氢键受体数量:6

4.可旋转化学键数量:2

5.互变异构体数量:15

6.拓扑分子极性表面积94.8

7.重原子数量:27

8.表面电荷:0

9.复杂度:734

10.同位素原子数量:0

11.确定原子立构中心数量:7

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:1