阿法骨化醇_alfacalcidol

阿法骨化醇 | CAS41294-56-8

阿法骨化醇基本信息
CAS号	41294-56-8	分子式	C27H44O2
分子量	400.63700	精确质量	400.33400
PSA	40.46000	LogP	6.58980

基础参数

用途

MSDS

基础参数

CAS号：: 41294-56-8
分子式：: C27H44O2
分子量：: 400.63700
中文名称：: 阿法骨化醇
英文名称：
中文别名：: 阿法骨化醇;1(Α)羟基维生素D3;1α-Hydroxycholecalciferol;阿夫唑嗪相关杂质A;1Α-羟基胆钙化醇;9,10-开环胆甾-5,7,10(19)-三烯-1,3-二醇;法能
英文别名：: alfacalcidol;
Bondiol;
oxydevit;
Un Alfa;
Alfacalcidol;
Alpharol;
unalpha;
1a-Hydroxyvitamin D3;
Etalpha;
alfarol
精确分子量/精确质量：: 400.33400
极性分子表面积/PSA：: 40.46000
油水分配系数/LogP：: 6.58980
LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：: InChI=1/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23+,24-,25?,26-,27-/m1/s1

物化性质

外观与性状：白色至灰白色结晶粉末

密度：1.01 g/cm3

熔点：134-136°C

沸点：531.5ºC at 760 mmHg

闪点：222.6ºC

折射率：1.534

存储条件/存储方法：

密封、阴凉、干燥保存

稳定性相关：

常规情况下不会分解，没有危险反应

其它信息：

1. 性状：晶体

2. 密度（g/mL,20ºC）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：132-133

5. 沸点（ºC）：未确定

6. 沸点（ºC，0.2mm hg）：未确定

7. 折射率：未确定

8. 闪点（ºC）：−20°C

9. 比旋光度（ºC）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,25ºC）：2E-13 (25 C)

12. 饱和蒸气压（kPa,60ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：未确定

合成方法

制备方法

用于治疗骨质疏松症、维生素D依赖性佝偻病和骨软化症等。

毒理学数据

CHEMICAL IDENTIFICATION

RTECS NUMBER :VS2851000

CHEMICAL NAME :9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1-alpha,3-beta,5Z,7E)-

CAS REGISTRY NUMBER :41294-56-8

LAST UPDATED :199706

DATA ITEMS CITED :19

MOLECULAR FORMULA :C27-H44-O2

MOLECULAR WEIGHT :400.71

WISWESSER LINE NOTATION :L56 FYTJ A1 BY1&3Y1&1 FU2U- AL6YYTJ BU1 CQ EQ

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 :340 ug/kg

TOXIC EFFECTS :Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Endocrine - other changes Skin and Appendages - hair

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: 8,560,1977

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

ROUTE OF EXPOSURE :Subcutaneous

SPECIES OBSERVED :Rodent - rat

DOSE/DURATION :40 ug/kg

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

REFERENCE :PIXXD2 PCT (Patent Cooperation Treaty) International Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #86-05395

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

ROUTE OF EXPOSURE :Intravenous

SPECIES OBSERVED :Rodent - rat

DOSE/DURATION :101 ug/kg

TOXIC EFFECTS :Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Sense Organs and Special Senses (Eye) - chromodacryorrhea Blood - changes in spleen

REFERENCE :OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 15,653,1978

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

ROUTE OF EXPOSURE :Oral

SPECIES OBSERVED :Rodent - mouse

DOSE/DURATION :440 ug/kg

TOXIC EFFECTS :Sense Organs and Special Senses (Eye) - lacrimation Blood - changes in spleen Skin and Appendages - hair

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: 8,560,1977

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

ROUTE OF EXPOSURE :Subcutaneous

SPECIES OBSERVED :Rodent - mouse

DOSE/DURATION :55 ug/kg

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

REFERENCE :PIXXD2 PCT (Patent Cooperation Treaty) International Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #86-05395

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

ROUTE OF EXPOSURE :Intravenous

SPECIES OBSERVED :Rodent - mouse

DOSE/DURATION :56 ug/kg

TOXIC EFFECTS :Lungs, Thorax, or Respiration - dyspnea Musculoskeletal - other changes Skin and Appendages - hair

REFERENCE :TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,323,1976

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

ROUTE OF EXPOSURE :Oral

SPECIES OBSERVED :Mammal - dog

DOSE/DURATION :500 ug/kg

TOXIC EFFECTS :Sense Organs and Special Senses (Eye) - lacrimation Behavioral - altered sleep time (including change in righting reflex) Gastrointestinal - hypermotility, diarrhea

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: 9,103,1978

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

ROUTE OF EXPOSURE :Intravenous

SPECIES OBSERVED :Mammal - dog

DOSE/DURATION :200 ug/kg

TOXIC EFFECTS :Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - changes in calcium

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: 9,103,1978 ** OTHER MULTIPLE DOSE TOXICITY DATA **