2446-23-3 (4-氯去氢甲基睾酮,4-Chlorodehydromethyltestosterone)

CAS号:
2446-23-3
中文名称:
4-氯去氢甲基睾酮
英文名称:
4-Chlorodehydromethyltestosterone
分子式:
C20H27ClO2
分子量:
334.8802

4-氯去氢甲基睾酮(2446-23-3)名称与标识符

名称

中文别名:
4-氯去氢甲基睾酮;4-氯-17A-甲基-17B-羟基-1,4-雄甾二烯-3-酮;4-氯大力补;4-氯去氢甲基睾酮(甾体);4-氯大力;1,4-Androstadien-4-氯-17A甲基17b的醇-3-酮;4-氯去氢甲睾酮(大力补);4-氯去氢甲基睾酮4-Chlorodehydromethyltestosterone(Oral Turinabol);
英文别名:
4-Chlorodehydromethyltestosterone;(8R,9S,10R,13S,14S,17S)-4-chloro-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;turinabol-oral;4-Chloro-17a-methyl-17b-hydroxy-1,4-androstadiene-3-one;4-Chlorodehydrone Thyltestosterone;Oral turinabol;4-ChlordehydroMethyl Testosterone;4-ChlorodehydroMethyltestosterone (oral turinabol);4-chloro-17a-methyl androst-;4-chloro-17a-methyl androst-1,4 diene-3-17b-dione;chlordehydromethyltestosterone;4-Chloro-1-dehydro-17-methyltestosterone;4-Chlorodianabol;4-Chloro-methandienone;Oral-Turinabol;Androsta-1,4-dien-3-one,4-chloro-17b-hydroxy-17-methyl- (7CI,8CI);1-Dehydro-4-chloro-17-methyltestosterone;1-Dehydro-4-chloro-17a-methyltestosterone;4-Chloro-1,2-dehydro-17a-methyltestosterone;4-Chloro-17a-methyl-17b-hydroxyandrosta-1,4-dien-3-one;4-Chloro-17b-hydroxy-17a-methyl-5a-androsta-1,4-dien-3-one;4-Chloromethandienone;4-Chloro-1-dehydromethyltestosterone;ZPZ473F40K;Turinabol - oral;Dehydrochlormethyltestosterone;4-Chloro Methan;

标识符

InChIKey:
AGUNEISBPXQOPA-XMUHMHRVSA-N
Inchi:
1S/C20H27ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,23H,4-7,10-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
SMILES:
ClC1C(C([H])=C([H])[C@@]2(C([H])([H])[H])C=1C([H])([H])C([H])([H])[C@]1([H])[C@]2([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@]21[H])O[H])=O

4-氯去氢甲基睾酮(2446-23-3)物化性质

实验特性

  • LogP : 9.32020
  • PSA : 0.00000
  • 折射率 : 1.579
  • 沸点 : 464.4°Cat760mmHg
  • 熔点 : 125-127°C
  • 闪点 : 234.6°C
  • 颜色与性状 : 灰白色固体
  • 密度 : 1.2

计算特性

  • 精确分子量 : 314.39100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 重原子数量 : 23
  • 复杂度 : 636
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 6
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.4
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 37.3