HCID29979902

Levonorgestrel EP Impurity B

(8R,9S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

C21H28O2312.4 g/molCAS 1095-74-5

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IDENTITY

结构与身份

标准SMILES: C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21CC
InChIKey: QCMLVDXPKCBMFQ-MJCUULBUSA-N
分子式: C21H28O2
平均分子量: 312.4 g/mol
单同位素质量: 312.20893013

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 23
形式电荷: 0
复杂度: 621

ALIASES

名称与别名

共 38 条

19914-67-1Levonorgestrel EP Impurity BLevonorgestrel Impurity BE8SU3M53QVUNII-E8SU3M53QVLevonoregestrel impurity B [EP]13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-5(10)-en-20-yn-3-one13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-5(10)-en-20-yn-3-one(Levo Norgestrel Impurity)(8R,9S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one(17alpha)-13-Ethyl-17-hydroxy-18,19-dinorpregn-5(10)-en-20-yn-3-one18,19-Dinorpregn-5(10)-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (17alpha)-QCMLVDXPKCBMFQ-MJCUULBUSA-N(17a)-13-ethyl-17-hydroxy-18,19-Dinorpregn-5(10)-en-20-yn-3-one; 18,19-Dinor-17a-pregn-5(10)-en-20-yn-3-one, 13-ethyl-17-hydroxy- (7CI,8CI); 13-Ethyl-17a-ethynyl-17-hydroxygon-5(10)-en-3-one; Levonorgestrel Imp. B (EP)13-Ethyl-17-hydroxy-18,19-dinor-17Alpha-pregn-5(10)-en-20-yn-3-one(Levo Norgestrel Impurity)UCL9B6Y5RBLevonorgestrel impurity B CRSSCHEMBL11856287DTXSID80652581Norgestrel impurity B [EP IMPURITY]IE23089

REACTIONS

参与反应

2 条

uspto-grants-1976_05 · 10.6084/m9.figshare.5104873.v1 · US03959322

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uspto-grants-1977_01 · 10.6084/m9.figshare.5104873.v1 · US04002746

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