CHEMICAL IDENTIFICATION

RTECS NUMBER :

TU5024800

CHEMICAL NAME :

Pregn-4-ene-3,20-dione, 6-alpha-fluoro-11-beta,16-alpha,17,21-tetrahydroxy-, cyclic 16,17- acetal with acetone

CAS REGISTRY NUMBER :

1524-88-5

LAST UPDATED :

199710

DATA ITEMS CITED :

4

MOLECULAR FORMULA :

C24-H33-F-O6

MOLECULAR WEIGHT :

436.57

WISWESSER LINE NOTATION :

T F5 E5 B666 GO IO RV PUTJ A1 CQ E1 FV1Q H1 H1 OF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TEST SYSTEM :

Human

DOSE/DURATION :

19 mg/kg

REFERENCE :

26UYA8 "Psoriasis, Proceedings of the International Symposium, Stanford, CA, 1971," Farber, E.M., and A.J. Cox, eds., Stanford, CA, Stanford Univ. Press, 1971 Volume(issue)/page/year: -,335,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83059 No. of Facilities: 38 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 713 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83059 No. of Facilities: 56 (estimated) No. of Industries: 3 No. of Occupations: 4 No. of Employees: 11429 (estimated) No. of Female Employees: 10864 (estimated)

计算化学数据

1.疏水参数计算参考值（XlogP）:1.4

2.氢键供体数量:2

3.氢键受体数量:7

4.可旋转化学键数量:2

5.互变异构体数量:6

6.拓扑分子极性表面积:93.1

7.重原子数量:31

8.表面电荷:0

9.复杂度:868

10.同位素原子数量:0

11.确定原子立构中心数量:9

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