38673-38-0 ((norethindrone acetate)

CAS号:
38673-38-0
英文名称:
norethindrone acetate
分子式:
C22H28O3
分子量:
348.505220413208

norethindrone acetate(38673-38-0)名称与标识符

名称

英文别名:
norethindrone acetate;(17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate;CID 121231000;Norethindrone Acetate-D6;Norethisterone acetateQ: What is Norethisterone acetate Q: What is the CAS Number of Norethisterone acetate Q: What is the storage condition of Norethisterone acetate Q: What are the applications of Norethisterone acetate;19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-;Norethindrone Acetate Impurity 18;

标识符

InChIKey:
IMONTRJLAWHYGT-LNSIUTDESA-N
Inchi:
1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18?,19?,20?,21-,22-/m0/s1/i5D2,6D2,12D2,13D,17D
SMILES:
O(C(C)=O)[C@@]1(C#C)C([2H])([2H])CC2C3CC([2H])([2H])C4=C([2H])C(C([2H])([2H])C[C@]4([2H])C3CC[C@@]21C)=O

norethindrone acetate(38673-38-0)物化性质

实验特性

  • 沸点 : 454.7±45.0 °C(Predicted)
  • 密度 : 1.14±0.1 g/cm3(Predicted)

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 重原子数量 : 25
  • 复杂度 : 695
  • 疏水参数计算参考值(XlogP) : 3.5
  • 拓扑分子极性表面积 : 43.4

norethindrone acetate(38673-38-0)相关文献