1H-Cyclopenta[b]benzofuran-5-butanoicacid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-yn-1-yl)-
- 中文别名：贝前列素
- 中文释义：贝前列素;2,3,3A-8B-四氢-2-羟基-1-(3-羟基-4-甲基-1-辛烯-6-炔基)-1H-环戊并[B]苯并呋喃-5-丁酸;2,3,3Α,8B-四氢-2-羟基-1-(3-羟基-4-甲基-1-辛烯-6-炔基)-1 H-环戊[B]苯并呋喃-5-丁酸
- 英文别名：Beraprost;
Unii-35E3njj4o6;
2-Hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-2,3,3A,8B-tetrahydro-1H-cyclopenta(B)benzofuran-5-butanoic acid;
Domer;
Befaprost;
ML 1229;
Beraprostum
- CAS No.：88430-50-6
- 分子式：
C24H30O5
- 分子量：398.49
- 精确分子量：398.20900
- PSA：86.99000
- InChI：InChI=1/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15?,17-,19+,20+,21-,23-/m0/s1
- 分子结构式：
物化性质
- 密度：
- 1.254 g/cm3
- 沸点：
- 572.1ºC at 760 mmHg
- 闪点：
- 193.1°C
- 折射率：
- 1.624
安全信息
- 密度：
- 1.254 g/cm3
- 沸点：
- 572.1ºC at 760 mmHg
- 闪点：
- 193.1°C
- 折射率：
- 1.624
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GY0781000
- CHEMICAL NAME :
- 1H-Cyclopenta(b)benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4- methyl-1-octen-6-ynyl)-
- CAS REGISTRY NUMBER :
- 88430-50-6
- LAST UPDATED :
- 199312
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C24-H30-O5
- MOLECULAR WEIGHT :
- 398.54
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 :
- 12 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #92-312531
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 7 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #92-312531
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 13 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #92-312531
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：112.27
2、 摩尔体积（cm3/mol）：317.7
3、 等张比容（90.2K）：872.6
4、 表面张力（dyne/cm）：56.9
5、 极化率（10-24cm3）：44.51
