醋酸泼尼松; 17a,21-二羟基孕甾-1,4-二烯-3,11,20-三酮 21-醋酸酯

密度：

1.28 g/cm3

沸点：

582ºC at 760 mmHg

闪点：

200.2ºC

折射率：

1.579

蒸汽压：

5.69E-16mmHg at 25°C

海关代码：

2937210000

危险类别码：

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin .

安全说明：

S26-S36/37/39

危险标志：

Xi

CHEMICAL IDENTIFICATION

RTECS NUMBER :

TU4154085

CHEMICAL NAME :

Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-, 21-acetate

CAS REGISTRY NUMBER :

125-10-0

BEILSTEIN REFERENCE NO. :

2342061

LAST UPDATED :

199612

DATA ITEMS CITED :

3

MOLECULAR FORMULA :

C23-H28-O6

MOLECULAR WEIGHT :

400.51

WISWESSER LINE NOTATION :

L E5 B666 CV OV AHTTT&J A1 E1 FV1OV1 FQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

330 mg/kg

SEX/DURATION :

female 10 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 56,23,1980

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

135 mg/kg

SEX/DURATION :

female 10 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 56,23,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3270 No. of Facilities: 18 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1045 (estimated) No. of Female Employees: 1045 (estimated)

分子结构数据

1、  摩尔折射率：103.66

2、  摩尔体积（cm³/mol）：311.5

3、  等张比容（90.2K）：845.7

4、  表面张力（dyne/cm）：54.3

5、  极化率（10-24cm3）：41.09

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:4

5.互变异构体数量:18

6.拓扑分子极性表面积97.7

7.重原子数量:29

8.表面电荷:0

9.复杂度:869

10.同位素原子数量:0

11.确定原子立构中心数量:6

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