醋酸去氧皮质酮

外观与性状：

白色固体

密度：

1.14 g/cm3

熔点：

157°C

沸点：

504.1ºC at 760 mmHg

闪点：

218ºC

折射率：

175 ° (C=1, Dioxane)

其它信息：

1.性状：白色结晶性粉末，无臭、无味。在空气中稳定。乙醇溶液在240nm波长处有最大吸收。

2.熔点（℃）：158-161。

3.比旋光度：[α]²⁰_D+168°-+176°(二氧六环)、+179°-+184°(1%，乙醇)；

溶解度：4.本品溶于氯仿(1：1.5)、丙酮(1：30)、乙醇 (1：50)，微溶于乙醚(1：170)，几乎不溶于水。

包装等级：

II

风险类别：

6.1

WGK_Germany：

3
德国有关水污染物质的分类清单

安全说明：

S22-S24/25

RTECS号：

HG0525000

CHEMICAL IDENTIFICATION

RTECS NUMBER :

HG0525000

CHEMICAL NAME :

11-Deoxycorticosterone, acetate

CAS REGISTRY NUMBER :

56-47-3

BEILSTEIN REFERENCE NO. :

2570798

LAST UPDATED :

199612

DATA ITEMS CITED :

7

MOLECULAR FORMULA :

C23-H32-O4

MOLECULAR WEIGHT :

372.55

WISWESSER LINE NOTATION :

L E5 B666 OV MUTJ A F FV1OV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

520 mg/kg/13W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

REFERENCE :

PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 83,14,1953 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

1258 mg/kg

SEX/DURATION :

male 20 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :

ENDOAO Endocrinology (Baltimore). (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21203) V.1- 1917- Volume(issue)/page/year: 28,129,1941

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Parenteral

DOSE :

316 mg/kg

SEX/DURATION :

female 56 day(s) pre-mating female 1-22 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - live birth index (measured after birth)

REFERENCE :

PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 120,238,1965

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Parenteral

DOSE :

224 mg/kg

SEX/DURATION :

female 56 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

REFERENCE :

PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 120,238,1965

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Unreported

DOSE :

16 mg/kg

SEX/DURATION :

male 2 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles)

REFERENCE :

ANENAG Annales d'Endocrinologie. (Masson Editeur, 120 Blvd. Saint-Germain, F-25280 Paris Cedex 06, France) V.1- 1939- Volume(issue)/page/year: 24(Suppl 3),1,1963 *** REVIEWS *** TOXICOLOGY REVIEW CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 17,432,1957 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5546 No. of Facilities: 17 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 968 (estimated) No. of Female Employees: 494 (estimated)

分子结构数据

1、  摩尔折射率：102.07

2、  摩尔体积（cm³/mol）：324.2

3、  等张比容（90.2K）：837.5

4、  表面张力（dyne/cm）：44.5

5、  极化率（10-24cm3）：40.46

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:0

3.氢键受体数量:4

4.可旋转化学键数量:4

5.互变异构体数量:15

6.拓扑分子极性表面积60.4

7.重原子数量:27

8.表面电荷:0

9.复杂度:707

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

• 
  醋酸去氧皮质酮红外图谱(IR1)
• 
  醋酸去氧皮质酮红外图谱(IR2)
• 
  醋酸去氧皮质酮质谱(MS)
• 
  醋酸去氧皮质酮核磁图(¹³CNMR)
• 
  醋酸去氧皮质酮Raman光谱
• 
  醋酸去氧皮质酮核磁图(¹HNMR)