| 中文名 |
福美司坦
|
| 英文名 |
formestane
|
| 中文别名 |
4-雄烯-4-醇-3,17-二酮
福美斯坦
4-羟基雄甾烷-4-烯-3,17-二酮
|
| 英文别名 |
Androst-4-ene-3,17-dione, 4-hydroxy-
4-Hydroxyandrost-4-ene-3,17-dione
4-Hydroxy-4-androstene-3,17-dione
Formestane
B,Aromatase inhibitor
Lentaron
4-androsten-4-ol-3,17-dione
4-Hydroxyandrostenedione
4-OH-A
MFCD00057814
(8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
|
| 密度 |
1.2±0.1 g/cm3
|
| 沸点 |
475.4±45.0 °C at 760 mmHg
|
| 熔点 |
199-202°C
|
| 分子式 |
C19H26O3
|
| 分子量 |
302.408
|
| 闪点 |
255.4±25.2 °C
|
| 精确质量 |
302.188202
|
| PSA |
54.37000
|
| LogP |
2.66
|
| 外观性状 |
白色粉末
|
| 蒸汽压 |
0.0±2.7 mmHg at 25°C
|
| 折射率 |
1.570
|
| 储存条件 |
2-8°C
|
| 分子结构 |
1、 摩尔折射率:83.02
2、 摩尔体积(cm3/mol):253.1
3、 等张比容(90.2K):667.1
4、 表面张力(dyne/cm):48.2
5、 极化率(10-24cm3):32.91
|
| 计算化学 |
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:3
4.可旋转化学键数量:0
5.互变异构体数量:34
6.拓扑分子极性表面积54.4
7.重原子数量:22
8.表面电荷:0
9.复杂度:590
10.同位素原子数量:0
11.确定原子立构中心数量:5
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
|
| 更多 |
1.熔点:从含水甲醇结晶,熔点199~202℃;从乙酸乙酯结晶,熔点203.5~206℃。
2.UV最大吸收(99.5%乙醇):278nm(ε11030)。[α]D20+181°(C=7.7,氯仿)。
3.性状:针状结晶。
|
CHEMICAL IDENTIFICATION
-
RTECS NUMBER :
-
BV8152500
-
CHEMICAL NAME :
-
Androst-4-ene-3,17-dione, 4-hydroxy-
-
CAS REGISTRY NUMBER :
-
566-48-3
-
LAST UPDATED :
-
199709
-
DATA ITEMS CITED :
-
4
-
MOLECULAR FORMULA :
-
C19-H26-O3
-
MOLECULAR WEIGHT :
-
302.45
-
WISWESSER LINE NOTATION :
-
L E5 B666 FV OV MUTJ A1 E1 NQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Subcutaneous
-
DOSE :
-
182 mg/kg
-
SEX/DURATION :
-
female 3-5 day(s) after conception
-
TOXIC EFFECTS :
-
Reproductive - Maternal Effects - parturition
-
REFERENCE :
-
JOENAK Journal of Endocrinology. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1939- Volume(issue)/page/year: 118,93,1988
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Subcutaneous
-
DOSE :
-
136 mg/kg
-
SEX/DURATION :
-
female 2-4 day(s) after conception
-
TOXIC EFFECTS :
-
Reproductive - Maternal Effects - other effects
-
REFERENCE :
-
JOENAK Journal of Endocrinology. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1939- Volume(issue)/page/year: 118,93,1988
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Subcutaneous
-
DOSE :
-
120 mg/kg
-
SEX/DURATION :
-
female 11-22 day(s) after conception
-
TOXIC EFFECTS :
-
Reproductive - Effects on Newborn - behavioral
-
REFERENCE :
-
ECJPAE Endocrinologia Japonica. (Japan Pub. Trading Co., Ltd., POB 5030, Tokyo International, Tokyo, Japan) V.1- 1954- Volume(issue)/page/year: 36,29,1989
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Intramuscular
-
DOSE :
-
250 mg/kg
-
SEX/DURATION :
-
female 3-7 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)
-
REFERENCE :
-
ENDOAO Endocrinology (Baltimore). (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21203) V.1- 1917- Volume(issue)/page/year: 100,1684,1977
|
| 符号 |
GHS08
|
| 信号词 |
Danger
|
| 危害声明 |
H360
|
| 警示性声明 |
P201-P308 + P313
|
| 个人防护装备 |
Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
|
| 危害码 (欧洲) |
T:Toxic
|
| 风险声明 (欧洲) |
R60
|
| 安全声明 (欧洲) |
S53-S36/37/39-S45
|
| 危险品运输编码 |
NONH for all modes of transport
|
| WGK德国 |
3
|
| RTECS号 |
BV8152500
|
【方法一】
雄甾-4-烯-3,17-二酮(Ⅰ)(1.432g,5mmo1)溶于50ml叔丁醇,在室温下加入38mg(0.15mmo1)四氧化锇在2ml叔丁醇的溶液,然后加入5ml 35%双氧水,在室温下搅拌3天。加100ml盐水稀释后,用二氯甲烷(2×100m1)提取。提取液依次用100ml盐水、50ml 10%亚硫酸氢钠溶液、50ml 10%碳酸钠溶液和100ml盐水洗,无水硫酸钠干燥,浓缩。剩余物(1.824g)为化合物(Ⅱ),溶于10ml甲醇,加入氢氧化钾(393mg,7mmo1)在3ml甲醇的溶液。加毕,在55℃搅拌10min。加入0.3ml乙酸和100ml盐水,用二氯甲烷(2×100ml)提取。期复液,合并,用100ml盐水洗,无水硫酸钠干燥,浓缩。剩余物(1.727g)经硅胶柱层析,己烷-乙酸乙酯(7:3)洗脱,得715mg福美坦,收率47%,熔点200~202℃(丙酮)。
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