阿氯米松双丙酸酯

基本信息
制备方法及用途
物化性质
毒理性
结构与计算化学
上游产品
下游产品
表征图谱

阿氯米松双丙酸酯基本信息

中文名称：: 阿氯米松双丙酸酯

中文别名：: 阿氯米松双丙酸酯;
7Α-氯-16Α-甲基-11Β,17Α,21-三羟基孕甾-1,4-二烯-3,20-二酮-17,21-二丙酸酯;
阿克美他松丙酯

英文名称：: Pregna-1,4-diene-3,20-dione,7-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (7a,11b,16a)-

英文别名：: alclometasone dipropionate;
alclometasone Dipropionate;
Modrasone;
alclovate;
Delonal;
Almeta;
Alclometasone-17,21-dipropionate;
Ddlonal;
ALCLOMETASONEDIPROPIONATE,USP;
Aclovate;
Vitra;
Aclosone

CAS No.：: 66734-13-2

分子式：: C₂₈H₃₇ClO₇

分子量：: 521.05

精确分子量：: 520.22300

PSA：: 106.97000

EINECS：: 266-464-3

InChI：: InChI=1/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3/t15-,18+,19-,20+,24-,25+,26+,27+,28+/m1/s1

危险品标志：

风险术语：

安全术语：

分子结构式：

SDS：: 查看

阿氯米松双丙酸酯制备方法及用途

制备方法

化合物(Ⅰ)在2，3-二氯-5，6-二氰基苯醌(DDQ)作用下，脱去一分子氢，在6、7位形成双键，而得化合物(Ⅱ)。碳酸氢钠水解21位的酯后，和原丙酸三乙酯反应，使17位和21位的羟基形成环状原甲酸酯(Ⅳ)。在醋酸中重排成17位丙酸酯(V)。然后和丙酸酐反应，使21位羟基成丙酸酯，而得到双丙酸酯(Ⅵ)。最后和氯化氢加成，得到双丙酸阿氯米松。总收率2.678%。

合成制备方法

用途简介

局部用皮质甾体激素，有强效的局部抗炎、止痒及收缩血管的作用。用于湿疹、特应性皮炎、牛皮癣及其它皮肤病。

用途

局部用皮质甾体激素，有强效的局部抗炎、止痒及收缩血管的作用。用于湿疹、特应性皮炎、牛皮癣及其它皮肤病。

阿氯米松双丙酸酯物化性质

密度：: 1.26g/cm3
沸点：: 636ºC at 760 mmHg
闪点：: 338.4ºC
折射率：: 1.562
存储条件/存储方法：: 库房通风低温干燥,与食品原料分开存放
其它信息：: 1.性状：从丙酮-甲醇-异丙醚结晶。
2.熔点（℃）：212-216。
3.折射率：+42.6°(C=0.3，二甲基甲酰胺)。

阿氯米松双丙酸酯毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TU3790000

CHEMICAL NAME :: Pregna-1,4-diene-3,20-dione, 7-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy) -, (7-alpha,11-beta,16-alpha)-

CAS REGISTRY NUMBER :: 66734-13-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 17

MOLECULAR FORMULA :: C28-H37-Cl-O7

MOLECULAR WEIGHT :: 521.10

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 :: 3593 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,70,1990

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >75 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 19,735,1988

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3593 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Skin and Appendages - hair

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 21,1253,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,70,1990

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2506 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Skin and Appendages - hair

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 21,1253,1987

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >15 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,70,1990

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >15 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 19,735,1988 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 9 mg/kg/90D-I

TOXIC EFFECTS :: Blood - changes in leukocyte (WBC) count Blood - changes in platelet count Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 21,1351,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 18250 ug/kg/1Y-I

TOXIC EFFECTS :: Blood - pigmented or nucleated red blood cells Blood - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 21,1437,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 9 mg/kg/90D-I

TOXIC EFFECTS :: Endocrine - changes in spleen weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 21,1309,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 18 mg/kg/90D-C

TOXIC EFFECTS :: Liver - other changes Endocrine - adrenal cortex hypoplasia Blood - other changes

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 21,1389,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 36500 ug/kg/1Y-I

TOXIC EFFECTS :: Endocrine - changes in adrenal weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 21,1483,1987 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 11 mg/kg

SEX/DURATION :: female 7-17 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 33,301,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 1100 ug/kg

SEX/DURATION :: female 7-17 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 33,301,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

DOSE :: 18 mg/kg

SEX/DURATION :: male 90 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 21,1389,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

DOSE :: 18 mg/kg

SEX/DURATION :: female 90 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 21,1389,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

DOSE :: 1300 ug/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 33,343,1987

阿氯米松双丙酸酯分子结构与计算化学数据

分子结构数据

1、摩尔折射率：133.32

2、摩尔体积（cm³/mol）：411.1

3、等张比容（90.2K）：1099.2

4、表面张力（dyne/cm）：51.1

5、极化率（10-24cm3）：52.85

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:7

4.可旋转化学键数量:8

5.互变异构体数量:6

6.拓扑分子极性表面积107

7.重原子数量:36

8.表面电荷:0

9.复杂度:1030

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

阿氯米松双丙酸酯上游产品

16α-Methyl Prednisolone 21-Acetate 11BETA,17,21-三羟基-16ALPHA-甲基孕甾-1,4,6-三烯-3,20-二酮

阿氯米松双丙酸酯下游产品

阿氯米松

阿氯米松双丙酸酯表征图谱

上海源叶生物科技有限公司

产品介绍：: 产品名称：阿氯米松双丙酸酯 Cas号：66734-13-2 纯度：98% 包装信息：25mg,2.5mg 价格：700.0元 - 4,550.0元

联系方式：: 联系人：Yuki 电话：021-61845781 手机：13585604150

武汉大华伟业医药化工有限公司

产品介绍：: 产品名称：阿氯米松二丙酸酯 Cas号：66734-13-2 纯度：包装信息：洽谈价格：洽谈

联系方式：: 联系人：朱女士电话：027-59848232 手机：15623424115

斯百全化学（上海）有限公司

产品介绍：: 产品名称：阿氯米松双丙酸酯 Cas号：66734-13-2 纯度：包装信息：洽谈价格：洽谈

联系方式：: 联系人：spectrum china sales 电话：021-67601398 手机：18616765336

天津拓华泛恩化工有限公司销售分部

产品介绍：: 产品名称：阿氯米松双丙酸酯 Cas号：66734-13-2 纯度：包装信息：洽谈价格：洽谈

联系方式：: 联系人：马小姣电话：15902206342 手机：15902206342

海口恒康达化工有限公司

产品介绍：: 产品名称：阿氯米松双丙酸酯 Cas号：66734-13-2 纯度：包装信息：洽谈价格：洽谈

联系方式：: 联系人：吴电话：0898-31989500 / 31986356 手机：13617516516

天津阿尔塔科技有限公司

产品介绍：: 产品名称：阿氯米松双丙酸酯 Cas号：66734-13-2 纯度：包装信息：洽谈价格：洽谈

联系方式：: 联系人：王霞电话：022-65378550 手机：

武汉金诺化工有限公司

产品介绍：: 产品名称：阿氯米松二丙酸酯 Cas号：66734-13-2 纯度：包装信息：洽谈价格：洽谈

联系方式：: 联系人：周源电话：+86-027-87661180 手机：15071086981