18609-39-7 ((2alpha-Hydroxy megestrol acetate)

快速询单

结构式：

2alpha-Hydroxy megestrol acetateMOL文件

CAS号：

18609-39-7

英文名称：

2alpha-Hydroxy megestrol acetate

分子式：

C₂₄H₃₂O₅

分子量：

400.507887840271

2alpha-Hydroxy megestrol acetate(18609-39-7)名称与标识符

名称

英文别名：

SW746K8T4U;18609-39-7;2alpha-Hydroxy megestrol acetate;Pregna-4,6-diene-3,20-dione, 2alpha,17-dihydroxy-6-methyl-, 17-acetate;17alpha-Acetoxy-2alpha-hydroxy-6-methylpregna-4,6-diene-3,20-dione;Q27289430;17-ACETOXY-2.ALPHA.-HYDROXY-6-METHYLPREGNA-4,6-DIENE-3,20-DIONE;PREGNA-4,6-DIENE-3,20-DIONE, 2.ALPHA.,17-DIHYDROXY-6-METHYL-, 17-ACETATE;2.ALPHA.-HYDROXY MEGESTROL ACETATE;UNII-SW746K8T4U;17.ALPHA.-ACETOXY-2.ALPHA.-HYDROXY-6-METHYLPREGNA-4,6-DIENE-3,20-DIONE;2α-Hydroxy Megestrol Acetate;Pregna-4,6-diene-3,20-dione, 2α,17-dihydroxy-6-methyl-, 17-acetate (8CI);

标识符

InChIKey：

MEVHWXXQXXEVIH-MXMIKBQFSA-N

Inchi：

1S/C24H32O5/c1-13-10-16-17(22(4)12-21(28)20(27)11-19(13)22)6-8-23(5)18(16)7-9-24(23,14(2)25)29-15(3)26/h10-11,16-18,21,28H,6-9,12H2,1-5H3/t16-,17+,18+,21-,22-,23+,24+/m1/s1

SMILES：

O(C(C)=O)[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC([C@@H](C[C@]4(C)[C@H]3CC[C@@]21C)O)=O

2alpha-Hydroxy megestrol acetate(18609-39-7)物化性质

实验特性

沸点 : 544.2±50.0 °C(Predicted)
酸度系数(pKa) : 12.48±0.70(Predicted)
密度 : 1.20±0.1 g/cm3(Predicted)

计算特性

精确分子量 : 400.22497412g/mol
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 3
同位素质量 : 400.22497412g/mol
重原子数量 : 29
复杂度 : 853
同位素原子数量 : 0
确定原子立构中心数量 : 7
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） : 2.6
拓扑分子极性表面积 : 80.7Å²

2alpha-Hydroxy megestrol acetate(18609-39-7)相关文献

1. A novel water-soluble quantum dot–neutral red fluorescence resonance energy transfer probe for the selective detection of megestrol acetate
Li-Yun Wang,Ling-Yu Dong,Luan Chen,Ya-Bing Fan,Jing Wu,Xiang-Feng Wang,Meng-Xia Xie New J. Chem. 2015 39 555
2. Synthesis of deuterium-labelled medroxyprogesterone, megestrol and melengestrol derivatives
Pieter Smid,Marjorie Jacquemijns,Paul W. Zoontjes,Evert A. I. M. Evers,Rainer W. Stephany,Johannes F. C. Stavenuiter,Leendert A. van Ginkel,Gijsbert Zomer Analyst 1994 119 2645
3. Developments in pharmaceutical analysis
C. A. Johnson,J. W. Murfin,J. H. McB. Miller,P. Duguid,John H. Knox,Jadwiga Jurand,Andrew Pryde,J. Nicholson,P. H. Corran,J. A. Clements,J. E. Pentelow,J. D. Edmond Proc. Anal. Div. Chem. Soc. 1976 13 6
4. Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization
Micha? Sowa,Katarzyna ?lepokura,Ewa Matczak-Jon CrystEngComm 2013 15 7696
5. Multi-residue screening of 100 multi-class veterinary drugs in milk powder by liquid chromatography coupled to quadrupole time-of-flight mass spectrometry
Jian Kang,Chun-Lin Fan,Ya-Fei Cao,Hui-Jun Wang,Xing Peng,Zhi-Bin Wang,Qiao-Ying Chang,Xue-Yan Hu,Guo-Fang Pang Anal. Methods 2014 6 8337
6. Survey of the hormones used in cattle fattening based on the analysis of Belgian injection sites
Kristina Vanoosthuyze,Els Daeseleire,Annick Van Overbeke,Carlos Van Peteghem,Andre Ermens Analyst 1994 119 2655
7. Elwell Award Presentation Meeting
D. J. Halls,G. Keay,John M. Thompson,Geoffrey H. Trevis Proc. Soc. Anal. Chem. 1967 4 40

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